SCHEMBL1327778

SCHEMBL1327778

CCc1cccc(CC)c1-c1cc(OC)c(COc2cc(C)c(Cl)c(C)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.40
FGFR4 P22455 4/20 0.40
KMT2A Q03164 1/20 0.39
C5AR1 P21730 8/20 0.39
HDAC8 Q9BY41 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1329402 0.91 C5AR1 (0.42) POLBC5AR1CD274
SCHEMBL1328889 0.89 MAPT (0.50) POLBMRGPRX4KMT2AC5AR1HDAC8
SCHEMBL1329117 0.87 C5AR1 (0.43) POLBC5AR1HDAC8KDM4EALDH1A1
SCHEMBL1328871 0.87 C5AR1 (0.38) C5AR1KDM4ECD274L3MBTL1
SCHEMBL1329080 0.84 C5AR1 (0.41) KMT2AC5AR1HPGDCD274MAPT
SCHEMBL1328882 0.84 C5AR1 (0.42) FGFR4C5AR1HDAC8KDM4EALDH1A1
SCHEMBL1328970 0.84 C5AR1 (0.38) MRGPRX4C5AR1HDAC8KDM4EL3MBTL1
SCHEMBL1328429 0.83 POLB (0.45) POLBMRGPRX4FGFR4C5AR1KDM4E
SCHEMBL1329731 0.83 MAPT (0.45) POLBKMT2AC5AR1KDM4EHPGD
SCHEMBL1329001 0.82 CYP1A2 (0.42) MRGPRX4KMT2AC5AR1HDAC8HPGD

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 POLB 4733/4885MRGPRX4 30/4885FGFR4 1651/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 POLB 4733/4885MRGPRX4 30/4885FGFR4 1651/4885

“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.