SCHEMBL2990355

SCHEMBL2990355

COc1ccc(C=CC(=O)Oc2cccc(CO[N+](=O)[O-])c2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.53
BACE1 P56817 7/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CA12 O43570 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2990351 1.00 TTR (0.53) TTRBACE1MAPTALDH1A1MEN1
SCHEMBL1318274 0.92 CA12 (0.58) TTRBACE1MAPTALDH1A1MEN1
SCHEMBL2995317 0.92 CA12 (0.58) TTRBACE1MAPTALDH1A1MEN1
SCHEMBL2998925 0.92 KDM4E (0.55) TTRMAPTALDH1A1KMT2ATDP1
SCHEMBL2998919 0.92 KDM4E (0.55) TTRMAPTALDH1A1KMT2ATDP1
SCHEMBL13704175 0.89 BACE1 (0.53) TTRBACE1MAPTALDH1A1MEN1
SCHEMBL2990322 0.89 TTR (0.54) TTRMAPTALDH1A1MEN1KMT2A
SCHEMBL2990320 0.89 TTR (0.54) TTRMAPTALDH1A1MEN1KMT2A
SCHEMBL13242591 0.85 MAPT (0.51) BACE1MAPTMEN1KMT2AMAOB
SCHEMBL2991861 0.84 MAPT (0.47) TTRMAPTALDH1A1MEN1KMT2A

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 6 patents. 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 claimed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP claimed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO claimed
US-20100179192-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2010-07-15 US disclosed
EP-2167070-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN Nicox S.A. (FR) 2010-03-31 EP disclosed
WO-2009007230-A1 USE OF NITRIC OXIDE RELEASING COMPOUNDS IN THE TREATMENT OF CHRONIC PAIN NICOX S.A. (FR) 2009-01-15 WO 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 TTR 4432/4885BACE1 2629/4885MAPT 3861/4885

“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.