SCHEMBL5396165

SCHEMBL5396165

COC(=O)c1cc(C(=O)O)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALOX15 P16050 1/20 0.63
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 5/20 0.56
PKM P14618 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 2/20 0.56
PLIN1 O60240 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
PLIN5 Q00G26 1/20 0.56
MCL1 Q07820 1/20 0.56
ABHD5 Q8WTS1 1/20 0.56
DHODH Q02127 1/20 0.56
USP2 O75604 1/20 0.55
MAPT P10636 2/20 0.52
PLA2G2A P14555 2/20 0.52

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
SCHEMBL72379 0.92 KDM4E (0.70) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL6605024 0.88 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL28100588 0.88 KDM4E (0.60) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL16832233 0.87 KDM4E (0.63) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL16832793 0.85 KDM4E (0.62) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL14518623 0.84 MEN1 (0.72) KDM4EMEN1KMT2AALDH1A1PKM
SCHEMBL3330317 0.84 ALDH1A1 (0.60) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL29450085 0.83 KDM4E (0.64) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL69125 0.83 KDM4E (0.64) KDM4EALOX15MEN1KMT2AALDH1A1
SCHEMBL12903095 0.83 KDM4E (0.70) KDM4EMEN1KMT2AALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106380446-A Synthesis method of quinoline-2-formic acid ester derivatives 南阳师范学院 2017-02-08 CN disclosed
CN-106366035-A Method for synthesizing quinoline derivative 南阳师范学院 2017-02-01 CN disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 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
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 (5 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 KDM4E 2588/4885ALOX15 1158/4885MEN1 1123/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R KDM4E 4333/4885ALOX15 789/4885MEN1 2608/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R KDM4E 4333/4885ALOX15 789/4885MEN1 2608/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B KDM4E 4378/4885ALOX15 763/4885MEN1 3054/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R KDM4E 4296/4885ALOX15 861/4885MEN1 2462/4885

“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.