SCHEMBL3104972

SCHEMBL3104972

NCCOc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)cc1CNC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.47
MALT1 Q9UDY8 1/20 0.44
EPHX2 P34913 1/20 0.43
CNR1 P21554 8/20 0.43
CNR2 P34972 1/20 0.42
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
GCGR P47871 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40

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
SCHEMBL3113355 0.88 PPARD (0.47) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3111455 0.87 PPARD (0.45) PPARDEPHX2CNR1CNR2GCGR
SCHEMBL3102163 0.87 CNR1 (0.52) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3109007 0.87 PPARD (0.46) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3112970 0.86 PPARD (0.42) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3111504 0.85 PPARD (0.44) PPARDEPHX2CNR1CNR2GCGR
SCHEMBL3110196 0.85 DPP4 (0.48) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3107295 0.84 CNR1 (0.47) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3100296 0.81 DDR1 (0.45) PPARDMALT1EPHX2CNR1CNR2
SCHEMBL3111640 0.80 CNR1 (0.44) PPARDMALT1EPHX2CNR1CNR2

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-8362045-B2 5,6-diaryl pyridines substituted in the 2- and 3-position, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-07 US disclosed
EP-2209768-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-28 EP disclosed
WO-2009087285-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-07-16 WO 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 (1 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-20100256202-A1 5,6-DIARYL PYRIDINES SUBSTITUTED IN THE 2- AND 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ALK, ROS1, CYP11B2 PPARD 1034/4885MALT1 21/4885EPHX2 1587/4885

“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.