SCHEMBL1329066

SCHEMBL1329066

CCc1ccc(C)nc1OCc1c(Oc2cccnc2)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.38
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARG P37231 1/20 0.32
MAPT P10636 1/20 0.32
SYK P43405 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
C5AR1 P21730 1/20 0.31
CYP2A6 P11509 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL1327043 0.81 C5AR1 (0.38) GRM5PPARGC5AR1
SCHEMBL1328501 0.74 CYP2A13 (0.37) GRM5ALDH1A1SMN1; SMN2TDP1C5AR1
SCHEMBL1328014 0.73 HTR1A (0.39) SMN1; SMN2HTR1A
SCHEMBL2138304 0.73 C5AR1 (0.35) C5AR1
SCHEMBL1328677 0.73 CNR2 (0.36) C5AR1
SCHEMBL1330008 0.72 C5AR1 (0.44) C5AR1
SCHEMBL1330475 0.71 C5AR1 (0.41) C5AR1
SCHEMBL1328338 0.71 C5AR1 (0.41) ALDH1A1LMNAMAPTC5AR1
SCHEMBL1327710 0.70 S1PR1 (0.39) C5AR1
SCHEMBL1329109 0.70 C5AR1 (0.41) ALDH1A1C5AR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 1027/4885ALDH1A1 1966/4885SMN1; SMN2 4559/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 GRM5 1027/4885ALDH1A1 1966/4885SMN1; SMN2 4559/4885

“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.