SCHEMBL2901725

SCHEMBL2901725

CCCOc1ccc2c(O)cc(C(=O)O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR1 P11362 1/20 0.40
IGFBP3 P17936 1/20 0.40
IGFBP5 P24593 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 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
SCHEMBL2905734 0.87 PLA2G2A (0.47) PDE10AKMT2AHTTLMNAMAPK1
SCHEMBL2909303 0.87 MAOB (0.53) KMT2ALMNACYP1A2GAA
SCHEMBL2909583 0.84 PTPN7 (0.48) KMT2ALMNAKDM4ETSHRHSD17B10
SCHEMBL2908122 0.82 ALOX15 (0.50) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2908224 0.81 MCL1 (0.54) KMT2AKDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2908071 0.80 KDM4E (0.59) KMT2ALMNAMAPK1HIF1AKDM4E
SCHEMBL5886734 0.80 PLA2G2A (0.55) PDE10AKMT2ADHODHHTTLMNA
SCHEMBL2909301 0.78 THRA (0.41) KMT2AMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3328720 0.76 IGFBP5 (0.50) KMT2ALMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2909353 0.76 DHODH (0.46) DHODHHTTSMN1; SMN2IGFBP3IGFBP5

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 17 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
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 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
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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 (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 PDE10A 296/4885KMT2A 4105/4885DHODH 1236/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R PDE10A 240/4885KMT2A 4517/4885DHODH 1143/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R PDE10A 240/4885KMT2A 4517/4885DHODH 1143/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 PDE10A 493/4885KMT2A 4417/4885DHODH 1247/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B PDE10A 459/4885KMT2A 4635/4885DHODH 1188/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R PDE10A 226/4885KMT2A 4387/4885DHODH 1232/4885

“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.