SCHEMBL6180207

SCHEMBL6180207

CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
PDE4D Q08499 1/20 0.61
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.57
OXTR P30559 1/20 0.56
PKM P14618 1/20 0.56
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL15167355 0.89 ALDH1A1 (0.59) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6181487 0.87 ALDH1A1 (0.56) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL1356015 0.87 ALDH1A1 (0.79) MAPTSMN1; SMN2RAB9ANPC1PDE4D
SCHEMBL15167569 0.86 ALDH1A1 (0.61) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6314704 0.86 RAB9A (0.59) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6313469 0.86 MAPT (0.63) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL6052641 0.85 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8339357 0.85 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL5680826 0.85 ALDH1A1 (0.60) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL29209983 0.85 RAB9A (0.50) MAPTSMN1; SMN2RAB9ANPC1NFKB1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
EP-2657230-A1 AMIDE DERIVATIVE AND USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-30 EP disclosed
US-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-15 US disclosed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20050239797-A1 Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity SMITHKLINE BEECHAM, PLC 2005-10-27 US disclosed
EP-1228043-B1 ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2005-01-12 EP disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1228043-A1 ISOQUINOLINE AND QUINAZOLINE DEIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032626-A1 ISOQUINOLINE AND QUINAZOLINE DERIVATIVES HAVING A COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 WO 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 (3 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-20130211075-A1 AMIDE DERIVATIVE AND USE THEREOF IL2, IL4, IL5 MAPT 1285/4885SMN1; SMN2 3412/4885RAB9A 1528/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 MAPT 4418/4885SMN1; SMN2 3122/4885RAB9A 2117/4885
US-20050239797-A1 Isoquinoline and quinazoline derivatives having a combined 5HT1A, 5HT1B, and 5HT1D receptor activity HTR1B, HTR1A, HTR1D MAPT 1700/4885SMN1; SMN2 1271/4885RAB9A 893/4885

“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.