SCHEMBL13396362

SCHEMBL13396362

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.40
NOS1 P29475 1/20 0.40
DPP7 Q9UHL4 2/20 0.40
S1PR2 O95136 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
TLR2 O60603 1/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 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
SCHEMBL13396361 0.98 DPP7 (0.41) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396528 0.87 FNTA (0.41) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13397074 0.86 RRM1 (0.38) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396443 0.86 RRM1 (0.38) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396436 0.85 FNTA (0.40) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396532 0.84 DPP7 (0.39) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13397195 0.84 DPP7 (0.39) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396495 0.83 GNAI3 (0.60) RRM1NOS1DPP7GNAI3GNAO1
SCHEMBL13397198 0.83 NOD1 (0.43) RRM1NOS1DPP7S1PR2S1PR1
SCHEMBL13396480 0.83 RRM1 (0.43) RRM1NOS1DPP7S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 RRM1 4106/4885NOS1 3/4885DPP7 3437/4885

“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.