SCHEMBL5948014

SCHEMBL5948014

Nc1cc(C(=O)NCCC(c2cccc(Cl)c2)c2cccc(Cl)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.53
▸ CASR P41180 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MCHR1 Q99705 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43

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
SCHEMBL5947676 0.88 EPHX2 (0.67) EPHX2MAPK1CYP2C9CYP2C19MEN1
SCHEMBL5948045 0.87 EPHX2 (0.53) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947650 0.87 EPHX2 (0.53) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947866 0.86 EPHX2 (0.53) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5947757 0.81 EPHX2 (0.72) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5948066 0.80 EPHX2 (0.66) EPHX2CYP2C9CYP2C19ALOX5
SCHEMBL5948103 0.79 EPHX2 (0.55) EPHX2CYP2C9CYP2C19ALOX5
SCHEMBL4619467 0.78 EPHX2 (0.67) EPHX2MAPK1CYP2C9CYP2C19MEN1
SCHEMBL5947967 0.78 EPHX2 (0.57) EPHX2CASRCYP2C9CYP2C19MEN1
SCHEMBL5947837 0.77 EPHX2 (0.59) EPHX2CYP2C9CYP2C19ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 — — 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CASR 4573/4885MAPK3 4611/4885

“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.

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