SCHEMBL13396369

SCHEMBL13396369

NC(Cc1ccc(O)cc1)C(=O)OCCCCCCO[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA9 Q16790 3/20 0.44
PTGS2 P35354 2/20 0.42
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MMP2 P08253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HDAC8 Q9BY41 2/20 0.38

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
SCHEMBL1832905 0.99 SLC7A5 (0.48) SLC7A5CA12CA1CA2CA4
SCHEMBL1945444 0.99 SLC7A5 (0.48) SLC7A5CA12CA1CA2CA4
SCHEMBL13396364 0.96 SLC7A5 (0.48) SLC7A5CA12CA1CA2CA4
SCHEMBL16607621 0.88 SLC7A5 (0.59) SLC7A5ITGB3ITGA2BHDAC8
SCHEMBL13396373 0.87 SLC7A5 (0.47) SLC7A5PTGS2MMP2ALDH1A1HDAC8
SCHEMBL3310195 0.87 PTGS2 (0.49) SLC7A5CA12CA1CA2CA4
SCHEMBL3310196 0.87 PTGS2 (0.49) SLC7A5CA12CA1CA2CA4
SCHEMBL13396367 0.85 SLC7A5 (0.44) SLC7A5PTGS2MMP2ALDH1A1HDAC8
SCHEMBL28758664 0.84 PTGS1 (0.47) SLC7A5CA12CA1CA2CA4
SCHEMBL13396389 0.84 PTGS2 (0.41) SLC7A5CA12CA1CA2CA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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 (2 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4040/4885CA12 4275/4885CA1 4365/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 SLC7A5 4181/4885CA12 4290/4885CA1 4414/4885

“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.