SCHEMBL13702109

SCHEMBL13702109

CC(C)NC(=O)c1cccc(-c2cnco2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAP4K4 O95819 1/20 0.48
MLLT1 Q03111 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ROCK2 O75116 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
XDH P47989 2/20 0.46
BRAF P15056 1/20 0.46
HDAC4 P56524 1/20 0.46
IMPDH2 P12268 2/20 0.45
ROCK1 Q13464 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
SCHEMBL13702383 0.85 NPC1 (0.52) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4245857 0.82 EDNRA (0.55) ERN1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13701629 0.82 IMPDH2 (0.53) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL22280601 0.82 SMN1; SMN2 (0.57) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL940586 0.79 KEAP1 (0.59) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL3076266 0.79 MAP4K4 (0.61) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL4249325 0.77 MEN1 (0.55) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL31331693 0.75 HDAC8 (0.64) ERN1ALDH1A1LMNANPSR1ROCK2
SCHEMBL1927786 0.75 HDAC8 (0.64) ERN1ALDH1A1LMNANPSR1ROCK2
SCHEMBL8593124 0.74 NPSR1 (0.69) ERN1KDM4EALDH1A1LMNAKMT2A

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 ERN1 679/4885NPC1 1477/4885RAB9A 2708/4885

“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.