SCHEMBL2231548

SCHEMBL2231548

O=Cc1ccc(C=CCOc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.48
MAOB P27338 5/20 0.44
NFE2L2 Q16236 1/20 0.44
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 3/20 0.41
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 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
SCHEMBL13582515 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2AMAOBNFE2L2
SCHEMBL9522633 0.85 PPARG (0.55) ALDH1A1KMT2AMAOBSMN1; SMN2MAOA
SCHEMBL9522631 0.85 PPARG (0.55) ALDH1A1KMT2AMAOBSMN1; SMN2MAOA
SCHEMBL13582304 0.83 CYP2A6 (0.53) ALDH1A1KMT2AMAOBSMN1; SMN2LMNA
SCHEMBL31453525 0.83 NFE2L2 (0.68) ALDH1A1NFE2L2LMNAKDM4E
SCHEMBL13582075 0.83 CYP2A6 (0.53) ALDH1A1KMT2AMAOBSMN1; SMN2LMNA
SCHEMBL13582584 0.83 ALDH1A1 (0.63) ALDH1A1MAOBGSK3BSMN1; SMN2LMNA
SCHEMBL13582586 0.83 ALDH1A1 (0.63) ALDH1A1MAOBGSK3BSMN1; SMN2LMNA
SCHEMBL2234412 0.83 AOC3 (0.50) ALDH1A1KMT2AMAOBSMN1; SMN2MAOA
SCHEMBL31453516 0.83 NFE2L2 (0.53) KMT2AMAOBNFE2L2MAOAMEN1

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 ALDH1A1 314/4885L3MBTL1 660/4885KMT2A 686/4885

“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.