SCHEMBL2236662

SCHEMBL2236662

O=C(O)C=Cc1ccc(Oc2ccc(OCc3ccccc3Cl)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
SRD5A2 P31213 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALKBH1 Q13686 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 1/20 0.43
RHOA P61586 1/20 0.43
MAPT P10636 3/20 0.42
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
HTT P42858 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GSK3B P49841 2/20 0.42
BACE1 P56817 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2236651 1.00 NR4A2 (0.48) NR4A2SRD5A2MAOAMAOBALKBH1
SCHEMBL13581837 0.90 NR4A2 (0.45) NR4A2MAOAMAOBALKBH1NPC1
SCHEMBL13581835 0.90 NR4A2 (0.45) NR4A2MAOAMAOBALKBH1NPC1
SCHEMBL13582249 0.87 AKR1C3 (0.45) NR4A2KMT2AMEN1NPC1RAB9A
SCHEMBL13581865 0.87 RECQL (0.48) NR4A2MAOAMAOBKMT2AMEN1
SCHEMBL13581866 0.87 RECQL (0.48) NR4A2MAOAMAOBKMT2AMEN1
SCHEMBL13582251 0.87 AKR1C3 (0.45) NR4A2KMT2AMEN1NPC1RAB9A
SCHEMBL2233162 0.87 CA12 (0.46) NR4A2MAOAMAOBKMT2AMEN1
SCHEMBL13582189 0.86 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13582187 0.86 ALDH1A1 (0.54) KMT2AMEN1NPC1RAB9AMAPT

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 NR4A2 116/4885SRD5A2 2654/4885MAOA 2362/4885

“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.