SCHEMBL2232873

SCHEMBL2232873

O=C(O)N1CCN(Cc2ccc(CCOc3ccc4ncccc4c3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 1/20 0.48
PDE3B Q13370 9/20 0.47
PDE3A Q14432 9/20 0.47
CHKA P35790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FAAH O00519 1/20 0.45
MCL1 Q07820 1/20 0.44

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
SCHEMBL2236668 0.87 ALDH1A1 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2FAAH
Hydrochloric Acid SCHEMBL2230898 0.82 CHKA (0.47) CHKA
SCHEMBL5064530 0.80 ALDH1A1 (0.63) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2231019 0.79 HRH3 (0.58) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2237822 0.78 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2RAB9AFAAH
SCHEMBL2232306 0.78 SMN1; SMN2 (0.53) MAPTKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL17444603 0.78 KCNH2 (0.52) MAPTCHKAL3MBTL1FAAH
SCHEMBL2236459 0.78 HRH3 (0.57) FAAH
SCHEMBL2232545 0.78 HRH3 (0.55) KDM4EALDH1A1SMN1; SMN2L3MBTL1FAAH
SCHEMBL13582916 0.78 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2FAAH

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 MAPT 4703/4885KDM4E 719/4885ALDH1A1 314/4885

“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.