SCHEMBL1328814

SCHEMBL1328814

CCc1cccc(CC)c1-c1cc(Oc2ccc(C(N)=O)c(O)c2)c(CN2CCC(N(C)C)C2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.36
GRM2 Q14416 1/20 0.35
AXL P30530 2/20 0.34
MERTK Q12866 2/20 0.34
TNIK Q9UKE5 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
C5AR1 P21730 3/20 0.33
JAK2 O60674 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
HDAC1 Q13547 1/20 0.33
RORC P51449 1/20 0.33
NPY1R P25929 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL2141460 0.88 LMNA (0.34) SCN9AC5AR1POLB
SCHEMBL1328351 0.87 TP53 (0.38) SCN9AKDM4EL3MBTL1POLB
SCHEMBL1329153 0.87 CD274 (0.37) KDM4E
SCHEMBL1327260 0.86 LMNA (0.34) SCN9AC5AR1
SCHEMBL1329213 0.86 LMNA (0.34) SCN9AC5AR1
SCHEMBL1327258 0.86 LMNA (0.34) SCN9AC5AR1
SCHEMBL1327264 0.86 LMNA (0.34) SCN9AC5AR1
SCHEMBL1328878 0.86 SCN9A (0.41) SCN9AKDM4E
SCHEMBL1327342 0.86 ALDH1A1 (0.45) KDM4EL3MBTL1POLB
SCHEMBL1327333 0.85 CYP2A13 (0.34) SCN9AGRM2KDM4EC5AR1

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 1307/4885GRM2 1783/4885AXL 466/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 SCN9A 1307/4885GRM2 1783/4885AXL 466/4885

“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.