SCHEMBL13396452

SCHEMBL13396452

N=C(N)NCCCC(N)C(=O)OCCOCCO[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ NPY4R P50391 2/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL13396391 0.90 NOS1 (0.34) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396344 0.90 CA12 (0.36) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396394 0.89 CA12 (0.36) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396449 0.89 CA12 (0.36) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396395 0.88 NOS1 (0.33) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396385 0.87 NOS1 (0.41) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL9741281 0.83 EPHX2 (0.34) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL3203673 0.80 NOS1 (0.38) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13396374 0.80 DPP7 (0.44) NOS1NOS3NOS2NPY4RNPY1R
SCHEMBL13416888 0.80 NPY4R (0.33) NOS1NOS3NOS2NPY4RNPY1R

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 NOS1 3/4885NOS3 1/4885NOS2 2/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 NOS1 3/4885NOS3 1/4885NOS2 2/4885

“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.

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