SCHEMBL97634

SCHEMBL97634

[CH2]c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
TP53 P04637 2/20 0.62
MAPT P10636 2/20 0.62
KDM1A O60341 3/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
MGLL Q99685 2/20 0.60
RCOR1 Q9UKL0 2/20 0.59
ROCK2 O75116 2/20 0.59
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
ATM Q13315 1/20 0.57
ENPP2 Q13822 2/20 0.53
RECQL P46063 1/20 0.53
NAMPT P43490 1/20 0.52
TGM2 P21980 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9080564 0.90 POLB (0.68) POLBTP53MAPTKDM1AMAOA
Benzyl Phenylcarbamate SCHEMBL1222943 0.88 POLB (0.78) POLBTP53MAPTKDM1AMAOA
SCHEMBL97680 0.87 NPC1 (0.57) POLBTP53MAPTKDM1AMAOA
SCHEMBL1870929 0.87 POLB (0.71) POLBTP53MAPTKDM1AMAOA
SCHEMBL10598558 0.85 POLB (0.69) POLBTP53MAPTKDM1AMAOA
SCHEMBL10595799 0.84 POLB (0.73) POLBTP53MAPTKDM1AMAOA
SCHEMBL3795024 0.84 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL7663567 0.84 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL5700992 0.84 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL3694153 0.84 POLB (0.68) POLBTP53MAPTKDM1AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US claimed
CN-101094833-A Tetrapeptide analogs IDUN PHARMACEUTICALS INC (US) 2007-12-26 CN claimed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
EP-0145304-B1 TETRAHYDRO-BETA-CARBOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Tanabe Seiyaku Co., Ltd. (JP) 1988-04-20 EP claimed
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 US claimed
US-4628057-A Tetrahydro-β-carboline derivatives and treatment of liver diseases TANABE SEIYAKU CO., LTD. (JP) 1986-12-09 US claimed
EP-0145304-A1 Tetrahydro-beta-carboline derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-06-19 EP claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
CN-1942472-B Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP. (KR) 2012-02-15 CN disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
CN-1798746-B Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP 2010-09-08 CN disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
CN-100475816-C Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2009-04-08 CN disclosed
EP-1444235-B1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORP (KR) 2008-06-11 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101094833-A Tetrapeptide analogs IDUN PHARMACEUTICALS INC (US) 2007-12-26 CN disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
CN-1942472-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2007-04-04 CN disclosed
CN-1872857-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
CN-1872856-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
CN-1798746-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-05 CN disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
CN-1585770-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2005-02-23 CN disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 CN disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 CN disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO disclosed
EP-0145304-B1 TETRAHYDRO-BETA-CARBOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Tanabe Seiyaku Co., Ltd. (JP) 1988-04-20 EP disclosed
US-4663319-A LIVER DISORDERS TANABE SEIYSKU CO., LTD. (JP) 1987-05-05 US disclosed
US-4628057-A Tetrahydro-β-carboline derivatives and treatment of liver diseases TANABE SEIYAKU CO., LTD. (JP) 1986-12-09 US disclosed
EP-0149534-A2 Novel thioketene derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-07-24 EP disclosed
EP-0145304-A1 Tetrahydro-beta-carboline derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-06-19 EP disclosed
EP-0145304-A1 Tetrahydro-beta-carboline derivatives and process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1985-06-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885TP53 3223/4885MAPT 2771/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB POLB 1340/4885TP53 3154/4885MAPT 4112/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 POLB 4329/4885TP53 1280/4885MAPT 4773/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885TP53 3223/4885MAPT 2771/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 POLB 4329/4885TP53 1280/4885MAPT 4773/4885
US-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS POLB 97/4885TP53 1/4885MAPT 3476/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM POLB 4750/4885TP53 3223/4885MAPT 2771/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.