SCHEMBL13876804

SCHEMBL13876804

CC(C)CCNC(=O)c1cncc(-c2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
USP30 Q70CQ3 1/20 0.52
XDH P47989 3/20 0.50
EPHX2 P34913 2/20 0.49
ULK1 O75385 1/20 0.47
HDAC1 Q13547 2/20 0.46
SCN2A Q99250 3/20 0.46
HTT P42858 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 1/20 0.45
RIPK1 Q13546 1/20 0.44
NAMPT P43490 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
SCHEMBL13876392 0.88 SCN10A (0.61) SCN10ANPC1RAB9ASMN1; SMN2XDH
SCHEMBL13876805 0.87 SMN1; SMN2 (0.51) SCN10ANPC1RAB9ASMN1; SMN2XDH
SCHEMBL13876849 0.87 HDAC1 (0.61) SCN10ANPC1RAB9ASMN1; SMN2XDH
SCHEMBL14640423 0.85 RAB9A (0.55) SCN10ANPC1RAB9ASMN1; SMN2XDH
SCHEMBL13876813 0.84 RAB9A (0.51) SCN10ANPC1RAB9ASMN1; SMN2XDH
SCHEMBL12191059 0.82 SCN10A (0.56) SCN10ASMN1; SMN2USP30ULK1HDAC1
SCHEMBL13876806 0.82 CTSA (0.55) NPC1RAB9ASMN1; SMN2HDAC1HTT
SCHEMBL13876390 0.80 SMN1; SMN2 (0.51) SCN10ANPC1RAB9ASMN1; SMN2SCN2A
SCHEMBL10099572 0.79 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2EPHX2HTT
SCHEMBL13876809 0.79 ALDH1A1 (0.49) NPC1RAB9ASMN1; SMN2HDAC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 SCN10A 3369/4885NPC1 1396/4885RAB9A 2900/4885

“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.