SCHEMBL13396405

SCHEMBL13396405

CSCCC(N)C(=O)NCCCCCCO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.45
FNTB P49356 7/20 0.45
RRM1 P23921 1/20 0.44
DPP7 Q9UHL4 2/20 0.43
PGGT1B P53609 6/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
CTSC P53634 1/20 0.39
NOS1 P29475 1/20 0.38
S1PR2 O95136 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL13396404 0.99 DPP7 (0.44) FNTAFNTBRRM1DPP7PGGT1B
SCHEMBL13396409 0.85 MEN1 (0.40) FNTAFNTBRRM1DPP7PGGT1B
SCHEMBL13397198 0.82 NOD1 (0.43) FNTAFNTBRRM1DPP7GNAI3
SCHEMBL13396495 0.82 GNAI3 (0.60) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13396480 0.82 RRM1 (0.43) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13396399 0.82 CA12 (0.39)
SCHEMBL13396362 0.81 RRM1 (0.40) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13396454 0.81 DPP7 (0.43) RRM1DPP7GNAI3GNAO1GNAI1
SCHEMBL13397027 0.81 DPP7 (0.43) FNTAFNTBRRM1DPP7PGGT1B
SCHEMBL13396425 0.81 GNAI3 (0.58) RRM1DPP7GNAI3GNAO1GNAI1

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 FNTA 476/4885FNTB 850/4885RRM1 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.