SCHEMBL1328007

SCHEMBL1328007

CCCOCc1c(Oc2ccc(C(N)=O)c(O)c2)cc(-c2c(CC)cccc2CC)nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.37
PARP15 Q460N3 3/20 0.37
SCN9A Q15858 4/20 0.34
PARP14 Q460N5 1/20 0.34
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
C5AR1 P21730 3/20 0.31
AURKA O14965 3/20 0.31
MET P08581 3/20 0.31
KDR P35968 3/20 0.31
TEK Q02763 3/20 0.31
AURKB Q96GD4 3/20 0.31
MEN1 O00255 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
GPR52 Q9Y2T5 1/20 0.30

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
SCHEMBL1328878 0.82 SCN9A (0.41) SCN9A
SCHEMBL1330882 0.81 C5AR1 (0.36) PARP10PARP15C5AR1
SCHEMBL1327910 0.81 SCN9A (0.43) SCN9AALDH1A1
SCHEMBL1327736 0.81 SCN9A (0.34) PARP10PARP15SCN9AKMT2AC5AR1
SCHEMBL1327258 0.81 LMNA (0.34) PARP10PARP15SCN9AMAPTC5AR1
SCHEMBL1327260 0.81 LMNA (0.34) PARP10PARP15SCN9AMAPTC5AR1
SCHEMBL1327264 0.81 LMNA (0.34) PARP10PARP15SCN9AMAPTC5AR1
SCHEMBL1328533 0.81 SCN9A (0.42) SCN9AC5AR1
SCHEMBL1329213 0.81 LMNA (0.34) PARP10PARP15SCN9AMAPTC5AR1
SCHEMBL1328782 0.81 CRHR1 (0.34) SCN9AC5AR1

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 PARP10 644/4885PARP15 618/4885SCN9A 1307/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 PARP10 644/4885PARP15 618/4885SCN9A 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.