SCHEMBL13396379

SCHEMBL13396379

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ RRM1 P23921 1/20 0.41
▸ S1PR2 O95136 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ S1PR5 Q9H228 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ NPY4R P50391 5/20 0.34
▸ NPY1R P25929 3/20 0.34
▸ NPY2R P49146 2/20 0.34
▸ NPY5R Q15761 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NOS3 P29474 1/20 0.33

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
SCHEMBL13396374 0.99 DPP7 (0.44) DPP7NOS1GNAI3GNAO1GNAI1
SCHEMBL13396385 0.88 NOS1 (0.41) DPP7NOS1GNAI3GNAO1GNAI1
SCHEMBL13396449 0.88 CA12 (0.36) NOS1NOD1NPY4RNPY1RMEN1
SCHEMBL13396394 0.88 CA12 (0.36) NOS1NOD1NPY4RNPY1RMEN1
SCHEMBL13396344 0.86 CA12 (0.36) DPP7NOS1NOD1NPY4RNPY1R
SCHEMBL13396495 0.85 GNAI3 (0.60) DPP7NOS1GNAI3GNAO1GNAI1
SCHEMBL13396391 0.84 NOS1 (0.34) DPP7NOS1NOD1NPY4RNPY1R
SCHEMBL13396425 0.83 GNAI3 (0.58) DPP7NOS1GNAI3GNAO1GNAI1
SCHEMBL23626315 0.82 DPP7 (0.61) DPP7NOS1GNAI3GNAO1GNAI1
SCHEMBL23610947 0.82 DPP7 (0.61) DPP7NOS1GNAI3GNAO1GNAI1

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 DPP7 3332/4885NOS1 3/4885GNAI3 769/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 DPP7 3437/4885NOS1 3/4885GNAI3 766/4885

“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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