SCHEMBL2991868

SCHEMBL2991868

O=C(C=Cc1cc(O)cc(O)c1)Oc1cccc(CO[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.42
AKR1B10 O60218 4/20 0.40
AKR1B1 P15121 4/20 0.40
CA12 O43570 3/20 0.40
CA4 P22748 3/20 0.40
CA6 P23280 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA5B Q9Y2D0 3/20 0.40
CA1 P00915 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HTR1A P08908 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL2991861 1.00 MAPT (0.47) MAPTMEN1KMT2AALOX5AKR1B10
SCHEMBL13242591 0.92 MAPT (0.51) MAPTMEN1KMT2AAKR1B10AKR1B1
SCHEMBL2990320 0.89 TTR (0.54) MAPTMEN1KMT2AALOX5AKR1B10
SCHEMBL2990322 0.89 TTR (0.54) MAPTMEN1KMT2AALOX5AKR1B10
SCHEMBL4322780 0.86 KMT2A (0.49) MAPTMEN1KMT2AAKR1B10AKR1B1
SCHEMBL4330721 0.86 KMT2A (0.49) MAPTMEN1KMT2AAKR1B10AKR1B1
SCHEMBL2995317 0.84 CA12 (0.58) MAPTMEN1KMT2AALOX5AKR1B1
SCHEMBL1318274 0.84 CA12 (0.58) MAPTMEN1KMT2AALOX5AKR1B1
SCHEMBL2990355 0.84 TTR (0.53) MAPTMEN1KMT2ACA12CA4
SCHEMBL2990351 0.84 TTR (0.53) MAPTMEN1KMT2ACA12CA4

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 MAPT 3861/4885MEN1 4543/4885KMT2A 4349/4885

“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.