SCHEMBL3304071

SCHEMBL3304071

O=CCN(NCCCCO[N+](=O)[O-])C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.34
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
ESR2 Q92731 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
SCHEMBL3310221 0.81 PDE5A (0.32) PDE5ACA12CA1CA2CA9
SCHEMBL9331694 0.70 ADH1B (0.41) PDE5ABCHEACHECA12CA1
SCHEMBL9328724 0.69 ADH1B (0.43) PDE5ABCHEACHECA12CA1
SCHEMBL677205 0.67 ADH1B (0.41) BCHEACHECA12CA1CA2
SCHEMBL1220763 0.66 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL8261445 0.65 BCHE (0.40) BCHEACHECA12CA1CA2
SCHEMBL3304062 0.65 BCHE (0.36) BCHEACHECA12CA1CA2
SCHEMBL21291571 0.64 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL13685929 0.64 CA12 (0.41) CA12CA1CA2CA4CA9
SCHEMBL399991 0.64 ALDH1A1 (0.48) CA12CA1CA2CA4CA9

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 5 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
EP-2125695-A2 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2009-12-02 EP disclosed
WO-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 WO 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 PDE5A 72/4885BCHE 2821/4885ACHE 394/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PDE5A 61/4885BCHE 2693/4885ACHE 540/4885

“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.