SCHEMBL1328502

SCHEMBL1328502

CCc1cccc(CC)c1-c1nc(C)c(COc2ccc3ccccc3c2)c(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
ALOX5 P09917 1/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
OXTR P30559 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL1329202 0.95 RAB9A (0.37) KDM4EMAPTMAPK1TSHRHSD17B10
SCHEMBL1328302 0.89 MAPT (0.38) KDM4EMAPTMAPK1TSHRALDH1A1
SCHEMBL1329444 0.89 KCNH2 (0.36) MAPTTSHRGAALMNAALDH1A1
SCHEMBL1327657 0.88 MEN1 (0.38) KDM4EMAPTMAPK1TSHRHSD17B10
SCHEMBL1328554 0.87 MAOB (0.37) KDM4EMAPTGAALMNAALDH1A1
SCHEMBL1329949 0.87 L3MBTL1 (0.37) KDM4EMAPTMAPK1TSHRGAA
SCHEMBL1329334 0.87 PTGER4 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329216 0.87 CD274 (0.33) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL1327226 0.87 CD274 (0.33) KDM4EMAPTALDH1A1CCNB2CDK1
SCHEMBL1327865 0.85 TSHR (0.47) MAPTMAPK1TSHRALDH1A1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US claimed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US 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 (2 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 KDM4E 2088/4885MAPT 4726/4885MAPK1 1309/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 KDM4E 2088/4885MAPT 4726/4885MAPK1 1309/4885

“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.