SCHEMBL13876178

SCHEMBL13876178

O=C(NCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.68
MAPK8 P45983 9/20 0.61
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
NLRP1 Q9C000 1/20 0.53
ROCK2 O75116 1/20 0.52

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
SCHEMBL13876222 0.86 EPHX2 (0.59) EPHX2MAPK8ALDH1A1HPGDSMN1; SMN2
SCHEMBL4186327 0.80 EPHX2 (0.75) EPHX2SMN1; SMN2LMNAMAPK1NLRP1
SCHEMBL4187765 0.79 EPHX2 (0.73) EPHX2SMN1; SMN2LMNAMAPK1NLRP1
SCHEMBL14456735 0.78 RAB9A (0.48) EPHX2MAPK8ALDH1A1
SCHEMBL14576180 0.77 MAPK8 (1.00) MAPK8
SCHEMBL14575600 0.76 MAPK8 (1.00) MAPK8
SCHEMBL14617117 0.76 MAPK8 (1.00) MAPK8
SCHEMBL4197060 0.76 EPHX2 (0.72) EPHX2MAPK8LMNAMAPK1NLRP1
SCHEMBL13876233 0.75 ALDH1A1 (0.51) EPHX2MAPK8ALDH1A1HPGDSMN1; SMN2
SCHEMBL4187168 0.75 EPHX2 (0.74) EPHX2LMNAMAPK1NLRP1ROCK2

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 2 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

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 EPHX2 2/4885MAPK8 2623/4885ALDH1A1 310/4885

“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.