SCHEMBL3310088

SCHEMBL3310088

NCC(=O)OCc1ccc(CO[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL5724177 0.83 IDO1 (0.59) RAB9AALDH1A1MAPK1L3MBTL1IDO1
Bromide SCHEMBL11274697 0.82 IDO1 (0.57) RAB9AALDH1A1MAPK1L3MBTL1IDO1
Hydrochloric Acid SCHEMBL1133252 0.82 IDO1 (0.60) RAB9AALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL31171268 0.78 KMT2A (0.57) CA2CA12CA4CA9ALDH1A1
SCHEMBL5150931 0.77 CA12 (0.47) CA1CA2CA12CA4CA9
SCHEMBL21384971 0.77 ALDH1A1 (0.46) CA1CA2ALDH1A1MAPK1L3MBTL1
SCHEMBL4586419 0.77 CA12 (0.52) CA1CA2CA12CA4CA9
SCHEMBL13396370 0.76 CA1 (0.52) CA1CA2CA12CA4CA9
SCHEMBL4128246 0.76 CA2 (0.50) CA1CA2CA12CA4CA9
SCHEMBL3642316 0.76 CA12 (0.58) CA1CA2CA12CA4CA9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125695-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SCIENCE IRELAND (IE) 2016-10-26 EP disclosed
US-9266820-B2 Nitric oxide donor compounds NICOX SCIENCE IRELAND (IE) 2016-02-23 US disclosed
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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 US disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO 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 (3 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 CA1 4365/4885CA2 2916/4885CA12 4275/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CA1 4414/4885CA2 2652/4885CA12 4290/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT CA1 4707/4885CA2 1953/4885CA12 4398/4885

“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.