SCHEMBL2232973

SCHEMBL2232973

Cc1ccc(OCCc2ccc(CN3CCN(C(=O)O)CC3)cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KCNA5 P22460 2/20 0.47
FAAH O00519 2/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 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
SCHEMBL2233345 0.93 HRH3 (0.47) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2232734 0.91 MEN1 (0.49) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2233436 0.86 SMN1; SMN2 (0.57) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL2235006 0.85 SMN1; SMN2 (0.60) KDM4EALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL2235426 0.83 SMN1; SMN2 (0.56) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2291800 0.82 CXCR4 (0.49) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL14108438 0.80 MEN1 (0.44) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL2293330 0.80 DRD3 (0.53) KDM4EALDH1A1SMN1; SMN2MAPTHRH3
SCHEMBL2237822 0.79 HRH3 (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13582276 0.78 SMN1; SMN2 (0.47) KDM4EALDH1A1TDP1MEN1KMT2A

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 KDM4E 719/4885ALDH1A1 314/4885TDP1 3208/4885

“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.