SCHEMBL1329327

SCHEMBL1329327

CCc1cc(OCc2c(OC)cc(-c3c(CC)cccc3CC)nc2C)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 13/20 0.45
ALOX5AP P20292 1/20 0.39
FGFR4 P22455 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL1327453 0.93 MAPT (0.47) C5AR1ALOX5APL3MBTL1ALDH1A1GAA
SCHEMBL1327712 0.91 C5AR1 (0.43) C5AR1ALOX5APFGFR4L3MBTL1ALDH1A1
SCHEMBL1327637 0.89 L3MBTL1 (0.40) C5AR1L3MBTL1ALDH1A1GAAMAPT
SCHEMBL1329519 0.89 C5AR1 (0.38) C5AR1FGFR4L3MBTL1ALDH1A1MAPT
SCHEMBL1328923 0.88 C5AR1 (0.42) C5AR1FGFR4
SCHEMBL1328066 0.87 C5AR1 (0.42) C5AR1ALDH1A1GAAMAPTLMNA
SCHEMBL1329280 0.87 C5AR1 (0.46) C5AR1MAPT
SCHEMBL1328429 0.86 POLB (0.45) C5AR1FGFR4LMNAHPGDKDM4E
SCHEMBL1327671 0.86 C5AR1 (0.46) C5AR1ALDH1A1LMNAKDM4E
SCHEMBL1328338 0.85 C5AR1 (0.41) C5AR1ALDH1A1GAAMAPTLMNA

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 C5AR1 2/4885ALOX5AP 568/4885FGFR4 1651/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 C5AR1 2/4885ALOX5AP 568/4885FGFR4 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.