SCHEMBL2903576

SCHEMBL2903576

CCOc1ccc2nc(C(=O)OC)cc(O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
HSD17B10 Q99714 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
FKBP4 Q02790 1/20 0.45
FKBP5 Q13451 1/20 0.45
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSL P07711 1/20 0.43

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
SCHEMBL5886734 0.90 PLA2G2A (0.55) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2905942 0.88 PDE2A (0.45) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL2908071 0.88 KDM4E (0.59) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL2910558 0.86 PLA2G2A (0.54) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL2911168 0.85 MAOB (0.51) SMN1; SMN2HPGDMEN1KMT2ANPC1
SCHEMBL2910836 0.83 PLA2G2A (0.42) HSD17B10KDM4EALDH1A1HPGDKMT2A
SCHEMBL2903370 0.82 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1TSHRMEN1
SCHEMBL2907173 0.82 DHODH (0.46) SMN1; SMN2PLA2G2ATP53LCK
SCHEMBL2658663 0.82 CTSL (0.62) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL13234529 0.81 KCNH2 (0.51) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD

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
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
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 US 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-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US 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 (6 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-20060122188-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, P2RY1, ADORA1 SMN1; SMN2 3695/4885HSD17B10 4320/4885KDM4E 4082/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R SMN1; SMN2 4279/4885HSD17B10 3757/4885KDM4E 4333/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R SMN1; SMN2 4279/4885HSD17B10 3757/4885KDM4E 4333/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 SMN1; SMN2 3527/4885HSD17B10 4098/4885KDM4E 4372/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B SMN1; SMN2 4038/4885HSD17B10 3456/4885KDM4E 4378/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R SMN1; SMN2 4340/4885HSD17B10 3818/4885KDM4E 4296/4885

“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.