SCHEMBL13701732

SCHEMBL13701732

CC(C)(C)NC(=O)c1cccc(C(=O)NC2CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 4/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 1/20 0.63
GFER P55789 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.59
HTR2B P41595 1/20 0.59
PKM P14618 1/20 0.56
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMYD3 Q9H7B4 1/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6707186 0.88 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL9265040 0.88 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL14748632 0.84 SMYD3 (0.74) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL19445791 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL17916120 0.83 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL23384768 0.82 SMYD3 (0.76) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL26407281 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL21249304 0.81 LMNA (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL7233864 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL3771488 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E

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 RAB9A 2708/4885NPC1 1477/4885SMN1; SMN2 4398/4885

“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.