SCHEMBL2179708

SCHEMBL2179708

Cc1oc(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 4/20 0.64
KDM4E B2RXH2 6/20 0.61
GAA P10253 3/20 0.61
POLB P06746 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
SLC9A1 P19634 1/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
IKBKB O14920 1/20 0.54
HSD17B10 Q99714 3/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11622676 0.98 TARBP2 (0.62) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL6583843 0.88 POLB (0.64) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL167906 0.86 IKBKB (0.69) TARBP2KDM4EGAAPOLBTDP1
Hydrochloric Acid SCHEMBL11621803 0.86 TARBP2 (0.64) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL893186 0.86 TARBP2 (0.61) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL9832175 0.85 L3MBTL1 (0.55) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL9832492 0.85 TARBP2 (0.68) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL20022402 0.84 IKBKB (0.58) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL10590839 0.84 KDM4E (0.58) TARBP2KDM4EGAAPOLBTDP1
SCHEMBL10590832 0.84 KDM4E (0.58) TARBP2KDM4EGAAPOLBTDP1

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP claimed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO claimed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US claimed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
WO-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US claimed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN claimed
WO-2015069011-A1 NOVEL COMPOUND, METHOD FOR PREPARATION THEREOF, AND ANTIFUNGAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-14 WO disclosed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
WO-1998004257-A1 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF PITTSBURGH (US) 1998-02-05 WO disclosed
US-5700821-A INHIBIT CELL PROLIFERATION UNIVERSITY OF PITTSBURGH (US) 1997-12-23 US 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 (9 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-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors DPP4, DPP7, ALPI TARBP2 4389/4885KDM4E 196/4885GAA 535/4885
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 TARBP2 4743/4885KDM4E 2857/4885GAA 612/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ TARBP2 2012/4885KDM4E 917/4885GAA 71/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP TARBP2 4816/4885KDM4E 956/4885GAA 201/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE TARBP2 1959/4885KDM4E 875/4885GAA 61/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ TARBP2 2012/4885KDM4E 917/4885GAA 71/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ TARBP2 2012/4885KDM4E 917/4885GAA 71/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 TARBP2 4743/4885KDM4E 2857/4885GAA 612/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ TARBP2 2012/4885KDM4E 917/4885GAA 71/4885

“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.