SCHEMBL15029231

SCHEMBL15029231

CNC(=O)N1Cc2cccc(C)c2C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 1/20 0.49
NAMPT P43490 7/20 0.46
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 4/20 0.46
CREBBP Q92793 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL31414516 0.84 ABHD6 (0.52) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL7602212 0.82 NOTUM (0.61) NAMPTTAS1R3TAS1R1TAS1R2NOTUM
SCHEMBL7946982 0.81 TRAP1 (0.52) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL27908431 0.79 TRAP1 (0.51) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL21476810 0.77 SMN1; SMN2 (0.55) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL3634459 0.77 RAB9A (0.67) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL18376168 0.77 TRAP1 (0.49) TRAP1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL13473657 0.77 RIPK1 (0.53) TRAP1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL5319230 0.76 TAS1R3 (0.52) TRAP1NAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL5923951 0.75 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2NPC1RAB9A

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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A TRAP1 2345/4885NAMPT 1563/4885TAS1R3 3709/4885

“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.