SCHEMBL13397199

SCHEMBL13397199

NC(CCC(=O)NCCCCCO[N+](=O)[O-])C(=O)NCCOCCO[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.39
NOD1 Q9Y239 1/20 0.39
RRM1 P23921 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
NOS1 P29475 1/20 0.35
LTA4H P09960 1/20 0.35
CA2 P00918 1/20 0.34
PLK1 P53350 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR2 O60603 2/20 0.34

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
SCHEMBL13397198 0.93 NOD1 (0.43) NOD1RRM1DPP7GNAI3GNAO1
SCHEMBL13397027 0.92 DPP7 (0.43) NOD1RRM1DPP7GNAI3GNAO1
SCHEMBL16124766 0.86 DPP7 (0.55) GLP1RNOD1RRM1DPP7GNAI3
SCHEMBL13396480 0.83 RRM1 (0.43) NOD1RRM1DPP7GNAI3GNAO1
SCHEMBL5148905 0.83 GRM8 (0.37) GLP1RNOD1NOS1LTA4HCA2
SCHEMBL13396454 0.82 DPP7 (0.43) NOD1RRM1DPP7GNAI3GNAO1
SCHEMBL13397074 0.80 RRM1 (0.38) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13396402 0.80 GNAI3 (0.49) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13396385 0.79 NOS1 (0.41) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL14135391 0.79 GLP1R (0.40) GLP1RNOD1RRM1DPP7GNAI3

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 GLP1R 1597/4885NOD1 1456/4885RRM1 3946/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 GLP1R 1946/4885NOD1 1292/4885RRM1 4106/4885

“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.