SCHEMBL13396359

SCHEMBL13396359

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS1 P29475 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR2 O60603 5/20 0.33
PTGS2 P35354 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL13396469 0.87 MEN1 (0.41) CA2MEN1KMT2ANOS1CYP2C9
SCHEMBL13396485 0.86 MEN1 (0.41) CA2MEN1KMT2ANOS1CYP2C9
SCHEMBL13396361 0.84 DPP7 (0.41) CA2NOS1TLR2
SCHEMBL13396402 0.82 GNAI3 (0.49) CA2MEN1KMT2ANOS1TLR2
SCHEMBL13396362 0.82 RRM1 (0.40) CA2NOS1TLR2
SCHEMBL13396409 0.81 MEN1 (0.40) CA2MEN1KMT2ANOS1TLR2
SCHEMBL13396522 0.80 MEN1 (0.51) CA2MEN1KMT2ACYP2C9ALOX15
SCHEMBL13396385 0.79 NOS1 (0.41) CA2MEN1KMT2ANOS1TLR2
SCHEMBL13396355 0.78 PTGS2 (0.36) CA2PTGS2
SCHEMBL13397199 0.78 GLP1R (0.39) CA2MEN1KMT2ANOS1TLR2

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 CA2 2652/4885MEN1 615/4885KMT2A 4459/4885

“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.