SCHEMBL2301371

SCHEMBL2301371

Cc1cc(/C=C/C(=O)N2CCNCC2)cc(C)c1Oc1ccc(O)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
KCNH2 Q12809 5/20 0.40
GPR183 P32249 4/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PELI1 Q96FA3 2/20 0.38
SCN9A Q15858 5/20 0.38
SCN7A Q01118 4/20 0.38
AR P10275 1/20 0.38
BCHE P06276 1/20 0.37
SCN10A Q9Y5Y9 4/20 0.37
SCN5A Q14524 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN8A Q9UQD0 2/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL2301382 1.00 REN (0.41) RENKCNH2GPR183KDM4EALDH1A1
SCHEMBL2234037 0.90 GPR183 (0.42) KCNH2GPR183KDM4EALDH1A1HPGD
SCHEMBL2234030 0.90 GPR183 (0.42) KCNH2GPR183KDM4EALDH1A1HPGD
SCHEMBL2231835 0.83 HRH3 (0.44) KCNH2GPR183ALDH1A1SCN9ASCN7A
SCHEMBL2231841 0.83 HRH3 (0.44) KCNH2GPR183ALDH1A1SCN9ASCN7A
SCHEMBL13582495 0.81 ESR1 (0.43) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL13582500 0.81 ESR1 (0.43) KDM4EALDH1A1HPGDESR1ESR2
SCHEMBL13583089 0.79 MAPK1 (0.39) KCNH2GPR183SCN9ASCN7ASCN10A
SCHEMBL13583093 0.79 MAPK1 (0.39) KCNH2GPR183SCN9ASCN7ASCN10A
SCHEMBL2236455 0.78 GPR183 (0.51) GPR183

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528897-B9 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2015-04-22 EP disclosed
EP-2528897-B1 DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMA CO LTD (JP) 2014-10-15 EP disclosed
US-8722663-B2 Di-substituted pyridine derivatives as anticancers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-05-13 US disclosed
EP-2528897-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS Otsuka Pharmaceutical Co., Ltd. (JP) 2012-12-05 EP disclosed
US-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-08 US disclosed
WO-2011093524-A9 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-01 WO disclosed
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 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 (1 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-20120283242-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS TPD52L2, CCNE2, CDK2 REN 3015/4885KCNH2 1267/4885GPR183 1249/4885

“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.