SCHEMBL3403308

SCHEMBL3403308

O=C(OCCCCO[N+](=O)[O-])[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
TLR2 O60603 2/20 0.34
PTGS2 P35354 1/20 0.34
PRCP P42785 2/20 0.34
DPP4 P27487 3/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
FAP Q12884 1/20 0.32
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
TTPA P49638 1/20 0.30
EPHX1 P07099 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
SCHEMBL3305980 1.00 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL4433830 0.99 TLR2 (0.36) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4430625 0.99 CA12 (0.36) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3308857 0.99 CA12 (0.36) CA12CA1CA2CA4CA9
SCHEMBL3307245 0.97 PRCP (0.34) CA12CA1CA2CA4CA9
SCHEMBL4430690 0.97 PRCP (0.34) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4430687 0.96 TLR2 (0.33) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL3300548 0.96 TLR2 (0.33) CA12CA1CA2CA4CA9
Maleic Acid SCHEMBL6380880 0.92 CA12 (0.33) CA12CA1CA2CA4CA9
Fumaric Acid SCHEMBL6380885 0.92 CA12 (0.33) 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 13 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-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
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO disclosed
EP-1635816-B1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2009-03-04 EP disclosed
US-7217733-B2 ACE inhibitor derivatives NICOX, S.A. (FR) 2007-05-15 US disclosed
CN-1809345-A Enalapril-nitroxyderivatives derivatives and related compounds as ACE inhibitors for the treatment of cardiovascular diseases NICOX SA (FR) 2006-07-26 CN disclosed
EP-1635816-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-03-22 EP disclosed
US-20050004100-A1 ACE inhibitor derivatives NICOX S.A. (FR) 2005-01-06 US disclosed
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 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 (4 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 CA12 4275/4885CA1 4365/4885CA2 2916/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 CA12 4290/4885CA1 4414/4885CA2 2652/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT CA12 4398/4885CA1 4707/4885CA2 1953/4885
US-20050004100-A1 ACE inhibitor derivatives ACE, ACE2, AGTR1 CA12 3057/4885CA1 2929/4885CA2 786/4885

“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.