SCHEMBL2233547

SCHEMBL2233547

Cc1ccc(COc2ccc(Oc3c(C)cc(Br)cc3Cl)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
MAPT P10636 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAOA P21397 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2232490 0.83 MAOB (0.40) MAOBMAPTSMN1; SMN2KDM4EPOLB
SCHEMBL13581907 0.80 MCL1 (0.40) MAOBMAPTTHRATHRBSMN1; SMN2
SCHEMBL13581908 0.80 MCL1 (0.40) MAOBMAPTTHRATHRBSMN1; SMN2
SCHEMBL13582306 0.79 MAOB (0.42) MAOBMAPTTHRATHRBALDH1A1
SCHEMBL13582311 0.79 MAOB (0.42) MAOBMAPTTHRATHRBALDH1A1
SCHEMBL13582309 0.79 MAOB (0.42) MAOBMAPTTHRATHRBALDH1A1
SCHEMBL13582469 0.79 AKR1C3 (0.42) MAOBMAPTTHRATHRBSMN1; SMN2
SCHEMBL13582466 0.79 AKR1C3 (0.42) MAOBMAPTTHRATHRBSMN1; SMN2
SCHEMBL2234686 0.78 MAOB (0.41) MAOBMAPTTHRATHRBKDM4E
SCHEMBL2234688 0.78 MAOB (0.41) MAOBMAPTTHRATHRBKDM4E

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 MAOB 783/4885MAPT 4703/4885THRA 3086/4885

“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.