SCHEMBL4468091

SCHEMBL4468091

Cc1nc2cc(N(C)C(=O)c3cccnc3)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
HSD17B10 Q99714 7/20 0.49
KDM4E B2RXH2 3/20 0.49
MLYCD O95822 1/20 0.49
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGFR P00533 1/20 0.46
PRKCA P17252 1/20 0.46
TP53 P04637 2/20 0.42
GRM1 Q13255 1/20 0.42
ITK Q08881 1/20 0.42
KMT2A Q03164 1/20 0.41
HTT P42858 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
SCHEMBL5934467 0.80 CYP1A1 (0.43) MAPTHSD17B10KDM4ENPC1RAB9A
SCHEMBL14485659 0.77 RAB9A (0.60) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL4011584 0.77 RAB9A (0.56) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL5335865 0.76 NPC1 (0.50) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL14426585 0.74 MLYCD (0.54) HSD17B10KDM4EMLYCDNPC1RAB9A
SCHEMBL28630199 0.73 MLYCD (0.65) MAPTHSD17B10KDM4EMLYCDNPC1
SCHEMBL5935115 0.72 MLYCD (0.67) MAPTHSD17B10KDM4EMLYCDNPC1
SCHEMBL16881111 0.71 MLYCD (0.51) MAPTHSD17B10KDM4EMLYCDNPC1
SCHEMBL26290419 0.71 ALDH1A1 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14554619 0.71 PAX8 (0.56) MAPTHSD17B10NPC1RAB9ASMN1; 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 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 MAPT 2329/4885HSD17B10 3079/4885KDM4E 816/4885

“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.