SCHEMBL4189403

SCHEMBL4189403

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
EPHX2 P34913 6/20 0.60
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.57
NLRP1 Q9C000 1/20 0.57
ROCK2 O75116 2/20 0.50
CASP1 P29466 1/20 0.49
ROCK1 Q13464 1/20 0.48
DDR1 Q08345 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL5213545 0.87 TSHR (0.72) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4200007 0.86 TSHR (0.60) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4194897 0.83 LMNA (0.56) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4185414 0.82 LMNA (0.58) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4186327 0.82 EPHX2 (0.75) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5645070 0.79 LMNA (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876096 0.79 EPHX2 (0.74) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4199501 0.79 TSHR (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4178412 0.79 TSHR (0.52) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4197586 0.78 TSHR (0.57) 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 6 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
EP-1987004-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO 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.