SCHEMBL13396459

SCHEMBL13396459

NCCCCC(N)C(=O)OCCCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.36
TLR2 O60603 2/20 0.34
MMP2 P08253 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL16124579 0.86 TLR2 (0.37) GSRTLR2MMP2NOD1
SCHEMBL13396340 0.85 GSR (0.43) GSRTLR2MMP2PTGS2CA12
SCHEMBL16124559 0.85 PTGS1 (0.32) PTGS1PTGS2CA12CA1CA2
SCHEMBL13396396 0.84 MARS1 (0.36) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL13396415 0.84 GSR (0.42) GSRTLR2MMP2PTGS2CA12
SCHEMBL13396383 0.83 NPY4R (0.31) HDAC3HDAC1HDAC2
SCHEMBL13396401 0.83 GSR (0.43) GSRMMP2PTGS2CA12CA1
SCHEMBL21682593 0.81 PTGS2 (0.36) PTGS1PTGS2HDAC3HDAC1HDAC2
SCHEMBL13396406 0.81 GNAI3 (0.52) GSRTLR2MMP2
SCHEMBL13396527 0.80 PTGS2 (0.36) PTGS1PTGS2HDAC3HDAC1HDAC2

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 GSR 166/4885TLR2 1320/4885MMP2 2935/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 GSR 173/4885TLR2 1158/4885MMP2 2892/4885

“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.