SCHEMBL13876385

SCHEMBL13876385

CC(C)CCNC(=O)c1ccc(-c2cccs2)nc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.64
ATM Q13315 1/20 0.56
GRM5 P41594 1/20 0.53
ERCC1 P07992 1/20 0.51
FEN1 P39748 1/20 0.51
ERCC4 Q92889 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.48
CAMK2D Q13557 4/20 0.46
EPHX2 P34913 1/20 0.46
FYN P06241 1/20 0.45
HTT P42858 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
SCHEMBL14457462 0.90 HPGDS (0.60) HPGDSATMGRM5RAB9ASMN1; SMN2
SCHEMBL38227 0.78 HPGDS (1.00) HPGDSNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13876383 0.78 ATM (0.53) ATMGRM5ERCC1FEN1ERCC4
SCHEMBL13450864 0.77 EPHX2 (0.69) GRM5NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL13876393 0.76 GRM5 (0.56) HPGDSGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL13876810 0.76 HPGD (0.56) GRM5NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL14974164 0.76 HPGDS (1.00) HPGDSNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13876399 0.76 GRM5 (0.56) HPGDSGRM5FEN1NPC1RAB9A
SCHEMBL38498 0.76 HPGDS (0.63) HPGDSNPC1RAB9ASMN1; SMN2CAMK2D
SCHEMBL13876401 0.76 NPC1 (0.55) HPGDSGRM5NPC1RAB9ASMN1; SMN2

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 HPGDS 29/4885ATM 4659/4885GRM5 3574/4885

“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.