SCHEMBL13701640

SCHEMBL13701640

COc1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KEAP1 Q14145 1/20 0.60
NFE2L2 Q16236 1/20 0.60
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PIK3CG P48736 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL13702343 0.86 MEN1 (0.63) MEN1KMT2AKEAP1NFE2L2HSD17B1
SCHEMBL13702112 0.84 MEN1 (0.61) MEN1KMT2AKEAP1NFE2L2HSD17B1
SCHEMBL13701669 0.83 RIPK1 (0.45)
SCHEMBL14507771 0.82 MEN1 (0.60) MEN1KMT2AKEAP1NFE2L2HSD17B1
SCHEMBL13701679 0.82 NPC1 (0.47)
SCHEMBL13701680 0.82 KCNQ3 (0.48)
SCHEMBL19127315 0.81 HSD17B1 (0.62) MEN1KMT2AKEAP1NFE2L2HSD17B1
SCHEMBL3662920 0.80 MKNK1 (0.71) MEN1KMT2AKEAP1NFE2L2HSD17B1
SCHEMBL13701799 0.80 NNMT (0.58) MEN1KMT2AMKNK1MKNK2HPGDS
SCHEMBL5557222 0.79 HSD17B1 (0.50) MEN1KMT2AKEAP1NFE2L2HSD17B1

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
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 MEN1 4409/4885KMT2A 3792/4885KEAP1 701/4885

“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.