SCHEMBL1328878

SCHEMBL1328878

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)c(O)c2)c(CN2CCCCC2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
MAOB P27338 8/20 0.36
KDM4E B2RXH2 2/20 0.35
PARP1 P09874 1/20 0.34
CD274 Q9NZQ7 1/20 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
SCHEMBL1327368 0.93 SCN9A (0.40) SCN9AMAOBPARP1CD274
SCHEMBL1327736 0.92 SCN9A (0.34) SCN9AMAOB
SCHEMBL1327910 0.92 SCN9A (0.43) SCN9AKDM4EPARP1
SCHEMBL2141460 0.91 LMNA (0.34) SCN9APARP1
SCHEMBL1330011 0.91 CD274 (0.36) SCN9AMAOBKDM4ECD274
SCHEMBL2143361 0.90 MAPT (0.36) SCN9AKDM4EPARP1
SCHEMBL1330327 0.90 SOS1 (0.36) SCN9AMAOBKDM4EPARP1
SCHEMBL1328351 0.90 TP53 (0.38) SCN9AKDM4ECD274
SCHEMBL1329153 0.90 CD274 (0.37) KDM4ECD274
SCHEMBL1327260 0.88 LMNA (0.34) SCN9AMAOB

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 SCN9A 1307/4885MAOB 588/4885KDM4E 2088/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SCN9A 1307/4885MAOB 588/4885KDM4E 2088/4885

“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.