SCHEMBL4469126

SCHEMBL4469126

Cc1nc2cc(NC(=O)c3cncnc3)ccc2s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.68
RAB9A P51151 10/20 0.61
NPC1 O15118 9/20 0.61
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
LMNA P02545 1/20 0.60
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 1/20 0.58
POLB P06746 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
LDHA P00338 1/20 0.51
RPS6KA2 Q15349 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL14985573 0.84 TRPV1 (0.79) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL30369793 0.84 RAB9A (0.81) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4386968 0.82 RAB9A (0.62) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5781407 0.82 TRPV1 (0.76) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5783405 0.82 TRPV1 (0.76) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5781167 0.82 TRPV1 (0.72) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5334697 0.82 TRPV1 (0.68) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5781677 0.81 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5787140 0.81 RAB9A (0.74) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5798843 0.81 RAB9A (0.65) TRPV1RAB9ANPC1CASP3SENP7

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-7531558-B2 e.g. 6-(4-Fluorophenyl)-2-methyl-N-(2-methylbenzothiazol-5-yl)nicotinamide; vanilloid (capsaicin) receptor modulator; analgesic; chronic, neuropathic, postoperative, postrheumatoid arthritic, osteoarthritic, back, cancer, dental pain, algesia, neuralgia, migraine, neuropathies, ischaemia GLAXO GROUP LIMITED (GB) 2009-05-12 US disclosed
US-20060148855-A1 Carboxamide derivatives GLAXO GROUP LIMITED (GB) 2006-07-06 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-20060148855-A1 Carboxamide derivatives CNR2, CNR1, SUCNR1 TRPV1 393/4885RAB9A 2395/4885NPC1 2461/4885

“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.