SCHEMBL5454938

SCHEMBL5454938

Cc1ccc(O)c(N[C]=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.49
GAA P10253 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
TRPA1 O75762 1/20 0.46
CXCR2 P25025 1/20 0.45
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 1/20 0.43
HSD17B2 P37059 1/20 0.43
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1758615 0.79 GAA (0.50) GAAMEN1KMT2ARAB9AALDH1A1
SCHEMBL14465699 0.77 TRPA1 (0.52) KCNMA1GAASMN1; SMN2MAPTTRPA1
SCHEMBL1758465 0.76 PDK1 (0.44) GAAMAPTNPC1MEN1KMT2A
SCHEMBL1758504 0.76 ALDH1A1 (0.43) KCNMA1SMN1; SMN2MAPTNPC1MEN1
SCHEMBL1356507 0.75 MEN1 (0.50) SMN1; SMN2TP53NPC1MEN1KMT2A
SCHEMBL3873734 0.74 TRPA1 (0.54) KCNMA1GAASMN1; SMN2MAPTTRPA1
SCHEMBL29494159 0.74 TRPA1 (0.54) KCNMA1GAASMN1; SMN2MAPTTRPA1
SCHEMBL6397287 0.73 KCNMA1 (0.69) KCNMA1GAASMN1; SMN2MAPTTP53
SCHEMBL1758833 0.73 ACHE (0.50) GAASMN1; SMN2MAPTTP53TDP1
SCHEMBL22593340 0.72 TRPA1 (0.52) KCNMA1GAASMN1; SMN2MAPTTRPA1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 KCNMA1 1503/4885GAA 2285/4885SMN1; SMN2 2862/4885

“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.