SCHEMBL4194897

SCHEMBL4194897

COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPK1 P28482 1/20 0.56
NLRP1 Q9C000 1/20 0.56
TSHR P16473 1/20 0.56
EPHX2 P34913 6/20 0.56
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 1/20 0.55
P2RX7 Q99572 2/20 0.50
RECQL P46063 1/20 0.50
CTSA P10619 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
DDR1 Q08345 1/20 0.47
HTT P42858 1/20 0.47
CASP1 P29466 1/20 0.46

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
SCHEMBL4185414 0.89 LMNA (0.58) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL13876096 0.84 EPHX2 (0.74) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4178412 0.84 TSHR (0.52) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4199501 0.84 TSHR (0.64) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4197060 0.83 EPHX2 (0.72) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4197586 0.83 TSHR (0.57) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL5213545 0.83 TSHR (0.72) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4189403 0.83 TSHR (0.61) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4192919 0.82 EPHX2 (0.52) LMNAMAPK1NLRP1TSHREPHX2
SCHEMBL4200007 0.81 TSHR (0.60) LMNAMAPK1NLRP1TSHREPHX2

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 LMNA 2116/4885MAPK1 3935/4885NLRP1 2624/4885

“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.