SCHEMBL2908197

SCHEMBL2908197

CCc1ccc2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IGFBP5 P24593 7/20 0.48
IGFBP3 P17936 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPA1 O75762 1/20 0.42
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3328720 0.89 IGFBP5 (0.50) ALDH1A1POLBTSHRMAPK1L3MBTL1
SCHEMBL2903370 0.87 ALDH1A1 (0.43) ALDH1A1POLBTSHRMAPK1L3MBTL1
SCHEMBL2908447 0.84 IGFBP5 (0.43) ALDH1A1POLBTSHRMAPK1L3MBTL1
SCHEMBL21987014 0.82 HNF4A (0.53) IGFBP5IGFBP3
SCHEMBL27658887 0.79 ALDH1A1 (0.44) ALDH1A1POLBTSHRMAPK1L3MBTL1
SCHEMBL28052017 0.79 ALDH1A1 (0.48) ALDH1A1POLBTSHRL3MBTL1MEN1
SCHEMBL975885 0.78 IGFBP5 (0.43) ALDH1A1TSHRIGFBP5IGFBP3ALOX15
SCHEMBL2908071 0.78 KDM4E (0.59) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL11827386 0.77 IGFBP5 (0.47) ALDH1A1TSHRIGFBP5IGFBP3ALOX15
SCHEMBL2908985 0.77 ALOX15 (0.48) ALDH1A1POLBTSHRL3MBTL1IGFBP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 EP disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 US disclosed
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-08 US disclosed
US-7056923-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-06 US disclosed
US-7026323-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-04-11 US disclosed
EP-1633737-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
CN-1747732-A 2-aminocarbonyl-quinoline compounds as platelet adenosine diphosphate receptor antagonists SCHERING AG (DE) 2006-03-15 CN disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
WO-2004113323-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-29 WO disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 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 (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-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists CCRL2, CCR5, CCR1 ALDH1A1 2065/4885POLB 3909/4885TSHR 1606/4885
US-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 ALDH1A1 1457/4885POLB 2082/4885TSHR 387/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885POLB 1491/4885TSHR 460/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885POLB 1491/4885TSHR 460/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 ALDH1A1 817/4885POLB 1954/4885TSHR 522/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885POLB 1388/4885TSHR 616/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R ALDH1A1 705/4885POLB 1658/4885TSHR 425/4885

“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.