SCHEMBL4477658

SCHEMBL4477658

CCc1ccc(OCC(=O)N(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
TRPM8 Q7Z2W7 1/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
ALPL P05186 1/20 0.50
PKM P14618 1/20 0.50
FKBP1A P62942 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL12869150 0.82 SMN1; SMN2 (0.55) SMN1; SMN2
SCHEMBL14220752 0.81 SMN1; SMN2 (0.67) SMN1; SMN2GAAHTTTRPM8NPC1
SCHEMBL1958617 0.81 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL11513846 0.81 PLA2G4A (0.56) SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4487061 0.80 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL9749821 0.80 SMN1; SMN2 (0.65) SMN1; SMN2TRPM8KDM4EALDH1A1TP53
SCHEMBL2213142 0.80 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL3845636 0.80 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1RXRARXRB
SCHEMBL8320409 0.80 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL27165343 0.80 SMN1; SMN2 (0.65) SMN1; SMN2ALPLKDM4EALDH1A1TP53

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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK SMN1; SMN2 3820/4885GAA 2424/4885HTT 1328/4885

“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.