SCHEMBL1328302

SCHEMBL1328302

CCc1cccc(CC)c1-c1nc(C)c(COc2ccc(C)c(C)c2)c(OC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
APEX1 P27695 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR2 Q92731 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL1329216 0.91 CD274 (0.33) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL1328502 0.89 KDM4E (0.39) MAPTTSHRPOLBTP53MAPK1
SCHEMBL1329202 0.88 RAB9A (0.37) MAPTTSHRPOLBTP53MAPK1
SCHEMBL1329557 0.88 POLB (0.39) MAPTPOLBTP53KDM4E
SCHEMBL1327657 0.88 MEN1 (0.38) MAPTTSHRTP53MAPK1KDM4E
SCHEMBL1329949 0.87 L3MBTL1 (0.37) MAPTTSHRPOLBL3MBTL1MAPK1
SCHEMBL1327226 0.87 CD274 (0.33) MAPTKDM4ECCNB2CDK1CDK4
SCHEMBL1329444 0.86 KCNH2 (0.36) MAPTTSHRATMPOLBL3MBTL1
SCHEMBL1328554 0.85 MAOB (0.37) MAPTTP53RAB9AKDM4ECCNB2
SCHEMBL1329334 0.85 PTGER4 (0.40) L3MBTL1TDP1CCNB2CDK1CDK4

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 MAPT 4726/4885TSHR 231/4885ATM 2623/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MAPT 4726/4885TSHR 231/4885ATM 2623/4885

“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.