SCHEMBL13396406

SCHEMBL13396406

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
NOS1 P29475 1/20 0.46
MMP2 P08253 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
RRM1 P23921 1/20 0.42
TLR2 O60603 5/20 0.40
TERT O14746 4/20 0.38
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
GSR P00390 1/20 0.35
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL13396360 0.88 NOS1 (0.38) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL13396425 0.84 GNAI3 (0.58) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL13396495 0.83 GNAI3 (0.60) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL13396459 0.81 GSR (0.36) MMP2TLR2GSR
SCHEMBL13397048 0.79 NOD1 (0.42) NOS1GSR
SCHEMBL13396982 0.77 DPP8 (0.39) NOS1DPP7
SCHEMBL13396402 0.77 GNAI3 (0.49) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL14153187 0.76 GNAI3 (0.84) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL18851611 0.76 GNAI3 (0.84) GNAI3GNAO1GNAI1NOS1MMP2
SCHEMBL5497787 0.76 GNAI3 (0.73) GNAI3GNAO1GNAI1NOS1MMP2

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 GNAI3 769/4885GNAO1 381/4885GNAI1 821/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 GNAI3 766/4885GNAO1 509/4885GNAI1 832/4885

“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.