SCHEMBL13701786

SCHEMBL13701786

CC(C)(C)NC(=O)c1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GABRA5 P31644 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 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
SCHEMBL13702364 0.87 CD274 (0.53) CD274SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL13702141 0.85 HRH3 (0.60) CD274SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL13702310 0.85 CD274 (0.57) CD274SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL13875951 0.85 GAA (0.52) CD274SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL14058966 0.82 KDM4E (0.55) CD274SMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL13701717 0.78 EPHX2 (0.63) SMN1; SMN2GAAALDH1A1KDM4EEPHX2
SCHEMBL6932337 0.77 GABRA5 (0.51) SMN1; SMN2GABRA5EPHX2MEN1KMT2A
SCHEMBL9906399 0.76 SIGMAR1 (0.50) ALDH1A1KDM4E
SCHEMBL13701697 0.75 MAPT (0.62) GABRA5
SCHEMBL4191388 0.75 EPHX2 (0.61) CD274SMN1; SMN2ALDH1A1EPHX2

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 — — 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX CD274 3768/4885SMN1; SMN2 4398/4885GAA 784/4885

“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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