SCHEMBL13397168

SCHEMBL13397168

COC(=O)OCO[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15408933 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL16914721 0.78 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL9480473 0.77
SCHEMBL12055300 0.75 SMN1; SMN2 (0.41) ALDH1A1KMT2APTGS1SMN1; SMN2
SCHEMBL29293356 0.75 GAA (0.60) ALDH1A1
SCHEMBL14181723 0.75
SCHEMBL20552953 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2234685 0.71 PTGS2 (0.39) ALDH1A1KMT2APTGS2PTGS1SMN1; SMN2
SCHEMBL2739388 0.71
SCHEMBL807505 0.71

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 ALDH1A1 360/4885MEN1 438/4885KMT2A 4323/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ALDH1A1 434/4885MEN1 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.