SCHEMBL1328554

SCHEMBL1328554

CCc1cccc(CC)c1-c1nc(C)c(COc2cccc(Oc3ccccc3)c2)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
P2RX3 P56373 1/20 0.36
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
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 3/20 0.34
NPBWR1 P48145 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL1329444 0.91 KCNH2 (0.36) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL1327657 0.90 MEN1 (0.38) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL1329334 0.90 PTGER4 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1328502 0.87 KDM4E (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1328302 0.85 MAPT (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1329216 0.85 CD274 (0.33) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1327226 0.85 CD274 (0.33) MAOBCCNB2CDK1CDK4CCNB1
SCHEMBL1329422 0.84 SLC22A12 (0.39) MAOB
SCHEMBL1329202 0.84 RAB9A (0.37) MAOBMAPTTP53KMT2ASMN1; SMN2
SCHEMBL1329949 0.83 L3MBTL1 (0.37) MAPTSMN1; SMN2LMNAKDM4EALDH1A1

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 MAOB 588/4885P2RX3 20/4885CCNB2 2200/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 MAOB 588/4885P2RX3 20/4885CCNB2 2200/4885

“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.