SCHEMBL3304062

SCHEMBL3304062

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
PTGS2 P35354 4/20 0.34
PTGS1 P23219 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3399298 0.80 CA2 (0.40) BCHEACHEPTGS2PTGS1CA12
SCHEMBL3310209 0.80 TDP1 (0.47) CA12CA1CA2CA9MEN1
Hydrochloric Acid SCHEMBL3310219 0.79 CA2 (0.39) BCHEACHEPTGS2PTGS1CA12
SCHEMBL8846809 0.75 MEN1 (0.46) ACHEPTGS2PTGS1CA12CA1
SCHEMBL18753016 0.74 PTPN1 (0.39) BCHEACHEMEN1KMT2AALOX15
SCHEMBL18115162 0.73 FAAH (0.44) BCHEACHEALDH1A1
SCHEMBL13397195 0.73 DPP7 (0.39) BCHEACHECA12CA1CA2
SCHEMBL18753010 0.73 PTPN1 (0.41) MEN1KMT2AALOX15HSD17B10ALDH1A1
SCHEMBL10647896 0.72 TSHR (0.43) BCHEACHEPTGS2PTGS1CA12
SCHEMBL13396698 0.72 ECE1 (0.42) BCHEACHEMEN1KMT2ASMN1; SMN2

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 BCHE 2821/4885ACHE 394/4885PTGS2 15/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 BCHE 2693/4885ACHE 540/4885PTGS2 12/4885

“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.