SCHEMBL1329334

SCHEMBL1329334

CCc1cccc(CC)c1-c1nc(C)c(COc2cccc(-c3ccccc3)c2)c(OC)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
DHFR P00374 2/20 0.38
VDR P11473 4/20 0.38
SOD1 P00441 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
DHODH Q02127 2/20 0.36
PPARD Q03181 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
CFD P00746 1/20 0.35
ERN1 O75460 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNB3 Q8WWL7 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
SCHEMBL1329444 0.91 KCNH2 (0.36) CD274PPARDL3MBTL1CCNB2CDK1
SCHEMBL1328554 0.90 MAOB (0.37) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1327657 0.88 MEN1 (0.38) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1328502 0.87 KDM4E (0.39) MRGPRX4CCNB2CDK1CDK4CCNB1
SCHEMBL1328302 0.85 MAPT (0.38) TDP1L3MBTL1CCNB2CDK1CDK4
SCHEMBL1329216 0.85 CD274 (0.33) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1327226 0.85 CD274 (0.33) CD274CCNB2CDK1CDK4CCNB1
SCHEMBL1329422 0.84 SLC22A12 (0.39) DHFR
SCHEMBL1329202 0.84 RAB9A (0.37) PPARD
SCHEMBL1329949 0.83 L3MBTL1 (0.37) L3MBTL1

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 PTGER4 256/4885DHFR 2186/4885VDR 292/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PTGER4 256/4885DHFR 2186/4885VDR 292/4885

“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.