SCHEMBL13242582

SCHEMBL13242582

COc1cc(C(=O)Oc2cccc(CCO[N+](=O)[O-])c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HSD17B2 P37059 1/20 0.44
MAPT P10636 1/20 0.41
SERPINE1 P05121 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
RAB9A P51151 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL13242575 0.94 ALOX5 (0.47) ALOX5KDM4EPOLBHDAC6HSD17B2
SCHEMBL13242581 0.89 HSD17B2 (0.46) ALOX5KDM4EPOLBHDAC6HSD17B2
SCHEMBL13242578 0.88 KDM4E (0.48) ALOX5KDM4EPOLBHDAC6HSD17B2
SCHEMBL13242571 0.85 KDM4E (0.51) KDM4EPOLBHDAC6HSD17B2MAPT
SCHEMBL13266658 0.83 KDM4E (0.47) ALOX5KDM4EPOLBHDAC6HSD17B2
SCHEMBL13242584 0.82 HDAC6 (0.49) KDM4EPOLBHDAC6HSD17B2MEN1
SCHEMBL13242553 0.82 CA12 (0.62) ALOX5CA12CA4CA6CA5A
SCHEMBL13242580 0.80 KDM4E (0.54) KDM4EPOLBHDAC6HSD17B2MAPT
SCHEMBL13242561 0.80 KDM4E (0.67) KDM4EPOLBHDAC6HSD17B2MAPT
SCHEMBL13242574 0.80 HDAC6 (0.52) ALOX5KDM4EPOLBHDAC6HSD17B2

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 ALOX5 26/4885KDM4E 3010/4885POLB 2055/4885

“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.