SCHEMBL13876809

SCHEMBL13876809

CC(C)CCNC(=O)c1cncc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
CDK8 P49336 2/20 0.47
NAMPT P43490 1/20 0.46
TP53BP1 Q12888 1/20 0.45
RIPK1 Q13546 1/20 0.45
CCR2 P41597 1/20 0.44
CNR2 P34972 1/20 0.44
GRIN2B Q13224 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
RAD52 P43351 1/20 0.43

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
SCHEMBL13876849 0.88 HDAC1 (0.61) NPC1RAB9ASMN1; SMN2KDM1AHDAC1
SCHEMBL13876805 0.85 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL13876390 0.83 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ABL1BCR
SCHEMBL13876344 0.80 XDH (0.53) NPC1RAB9ASMN1; SMN2KDM1AHDAC1
SCHEMBL14640423 0.80 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM1AHDAC1
SCHEMBL13876804 0.79 SCN10A (0.56) NPC1RAB9ASMN1; SMN2KDM1AHDAC1
SCHEMBL13876392 0.77 SCN10A (0.61) NPC1RAB9ASMN1; SMN2
SCHEMBL341924 0.77 CYP11B1 (0.54) CDK8ATMMAPT
SCHEMBL13876806 0.76 CTSA (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL13876030 0.76 MGLL (0.48) ALDH1A1NPC1RAB9ACDK8GRIN2B

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-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

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 ALDH1A1 310/4885POLB 2586/4885NPC1 1396/4885

“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.