SCHEMBL13242577

SCHEMBL13242577

COc1cc(C(=O)OCc2ccc(CO[N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA9 Q16790 1/20 0.59
HSD17B2 P37059 1/20 0.58
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL13242573 0.92 HSD17B2 (0.54) CA12CA1CA2CA4CA9
SCHEMBL13242580 0.91 KDM4E (0.54) CA12CA1CA2CA4CA9
SCHEMBL13242585 0.89 HDAC6 (0.55) CA12CA1CA2CA4CA9
SCHEMBL13242572 0.88 HSD17B2 (0.49) CA12CA1CA2CA4CA9
SCHEMBL4955356 0.84 HSD17B2 (0.70) HSD17B2HTTKDM4EPOLBHDAC6
SCHEMBL13242561 0.84 KDM4E (0.67) CA12CA1CA2CA4CA9
SCHEMBL13242571 0.83 KDM4E (0.51) CA12CA1CA2CA4CA9
SCHEMBL1356478 0.83 HSD17B2 (0.72) CA12CA1CA2CA9HSD17B2
SCHEMBL8886989 0.82 HSD17B2 (0.67) CA12CA4CA9HSD17B2HTT
SCHEMBL13242574 0.82 HDAC6 (0.52) CA12CA1CA2CA4CA9

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 3464/4885CA1 2237/4885CA2 719/4885

“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.