SCHEMBL1328351

SCHEMBL1328351

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)c(O)c2)c(CN2CCCC(C)C2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SCN9A Q15858 2/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL1327258 0.91 LMNA (0.34) SCN9AMAPTLMNAOPRK1TSHR
SCHEMBL1327264 0.91 LMNA (0.34) SCN9AMAPTLMNAOPRK1TSHR
SCHEMBL1329213 0.91 LMNA (0.34) SCN9AMAPTLMNAOPRK1TSHR
SCHEMBL1327260 0.91 LMNA (0.34) SCN9AMAPTLMNAOPRK1TSHR
SCHEMBL2141460 0.91 LMNA (0.34) SCN9AMAPTALDH1A1LMNAPOLB
SCHEMBL1328878 0.90 SCN9A (0.41) SCN9AKDM4ECD274
SCHEMBL1328814 0.87 SCN9A (0.36) SCN9AKDM4EPOLBL3MBTL1
SCHEMBL1327333 0.87 CYP2A13 (0.34) SCN9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL1327368 0.86 SCN9A (0.40) SCN9AMAPTCD274
SCHEMBL1329153 0.86 CD274 (0.37) MAPTKDM4EALDH1A1CD274HSD17B10

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 TP53 3878/4885RXFP1 146/4885SCN9A 1307/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 TP53 3878/4885RXFP1 146/4885SCN9A 1307/4885

“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.