SCHEMBL4468094

SCHEMBL4468094

Cc1nc2cc(NC(=O)c3cccnc3C)ccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.62
RAB9A P51151 11/20 0.61
NPC1 O15118 10/20 0.61
RXFP1 Q9HBX9 1/20 0.61
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 3/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LDHA P00338 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4970699 0.88 TRPV1 (0.60) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL4021153 0.80 KDR (0.62) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL3957717 0.80 RAB9A (0.50) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL30369793 0.79 RAB9A (0.81) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL3951152 0.78 RAB9A (0.49) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL5800197 0.78 TRPV1 (0.59) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL4385762 0.78 TRPV1 (0.58) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL3961761 0.78 KDR (0.63) TRPV1RAB9ANPC1RXFP1CASP3
SCHEMBL5798843 0.78 RAB9A (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5419885 0.77 RAB9A (0.56) TRPV1RAB9ANPC1RXFP1CASP3

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.