SCHEMBL13396705

SCHEMBL13396705

CSCCC(NC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.44
FNTB P49356 7/20 0.44
PGGT1B P53609 1/20 0.44
MAPK1 P28482 1/20 0.38
NOD1 Q9Y239 1/20 0.36
LMNA P02545 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
FOLH1 Q04609 1/20 0.35

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
SCHEMBL13396662 0.84 FOLH1 (0.36) FNTAFNTBMAPK1LMNACA2
SCHEMBL13396768 0.84 FNTA (0.37) FNTAFNTBPGGT1BNOD1FOLH1
SCHEMBL13396652 0.83 FNTA (0.49) FNTAFNTBPGGT1BMAPK1NOD1
SCHEMBL13396691 0.83 SLC6A5 (0.46) NOD1CA2CA1FOLH1
SCHEMBL13396744 0.82 NOD1 (0.44) FNTAFNTBPGGT1BNOD1FOLH1
SCHEMBL13396651 0.81 FNTA (0.52) FNTAFNTBPGGT1BMAPK1NOD1
SCHEMBL13396707 0.79 NOD1 (0.39) FNTAFNTBPGGT1BNOD1
SCHEMBL16124693 0.78 PTGS2 (0.33)
SCHEMBL13396825 0.78 NOD1 (0.36) FNTAFNTBPGGT1BNOD1FOLH1
SCHEMBL20104860 0.77 ALDH1A1 (0.36) LMNA

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 FNTA 452/4885FNTB 802/4885PGGT1B 3081/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 FNTA 476/4885FNTB 850/4885PGGT1B 3114/4885

“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.