SCHEMBL4178412

SCHEMBL4178412

O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(Oc2ccncc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
EPHX2 P34913 6/20 0.52
LMNA P02545 2/20 0.51
CASP1 P29466 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2J2 P51589 1/20 0.49
MAPK1 P28482 1/20 0.49
NLRP1 Q9C000 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK14 Q16539 1/20 0.49
ROCK2 O75116 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ROCK1 Q13464 2/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL4192919 0.89 EPHX2 (0.52) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4197655 0.88 GRM5 (0.57) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4192517 0.87 EPHX2 (0.50) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4193085 0.86 EPHX2 (0.66) TSHREPHX2LMNACASP1CYP2C9
SCHEMBL4184514 0.86 EPHX2 (0.51) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4199501 0.85 TSHR (0.64) TSHREPHX2LMNACYP2C9CYP2J2
SCHEMBL4194897 0.84 LMNA (0.56) TSHREPHX2LMNACASP1MAPK1
SCHEMBL4185414 0.83 LMNA (0.58) TSHREPHX2LMNACASP1MAPK1
SCHEMBL4187148 0.82 EPHX2 (0.52) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876106 0.81 EPHX2 (0.53) TSHREPHX2LMNAMAPK1NLRP1

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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 TSHR 4438/4885EPHX2 2/4885LMNA 2116/4885

“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.