SCHEMBL13242546

SCHEMBL13242546

COc1cc(/C=C/C(=O)Oc2ccc(CO[N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA4 P22748 3/20 0.58
CA6 P23280 3/20 0.58
CA5A P35218 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
CA5B Q9Y2D0 3/20 0.58
MET P08581 8/20 0.56
HTR7 P34969 1/20 0.56
EPHX2 P34913 1/20 0.56
MAOB P27338 3/20 0.55
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
HSP90AA1 P07900 1/20 0.54
G6PD P11413 1/20 0.54
RAB9A P51151 1/20 0.54
BACE1 P56817 4/20 0.53
GSK3B P49841 2/20 0.53
CYP2D6 P10635 3/20 0.53

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
SCHEMBL13704175 0.92 BACE1 (0.53) CA12CA4CA6CA5ACA7
SCHEMBL2997666 0.91 KDM4E (0.58) CA12CA4CA9MAOBNPC1
SCHEMBL2997672 0.91 KDM4E (0.58) CA12CA4CA9MAOBNPC1
SCHEMBL1318303 0.90 CA12 (0.72) CA12CA4CA6CA5ACA7
SCHEMBL13242549 0.90 CA12 (0.72) CA12CA4CA6CA5ACA7
SCHEMBL13242545 0.90 MET (0.62) CA12CA4CA6CA5ACA7
SCHEMBL2995317 0.89 CA12 (0.58) CA12CA4CA6CA5ACA7
SCHEMBL1318274 0.89 CA12 (0.58) CA12CA4CA6CA5ACA7
SCHEMBL13242550 0.88 MET (0.64) CA12CA4CA6CA5ACA7
SCHEMBL2995205 0.88 TTR (0.54) CA12CA4CA6CA5ACA7

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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 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-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NOS1, NOS2, NOS3 CA12 3464/4885CA4 2043/4885CA6 1622/4885

“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.