SCHEMBL8260233

SCHEMBL8260233

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA4 P22748 6/20 0.47
CA9 Q16790 6/20 0.47
CA3 P07451 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
DNM1 Q05193 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.33
PTGS2 P35354 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
SCHEMBL7548673 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL7527051 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL7548526 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL8259026 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL7551125 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL7541404 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
SCHEMBL7549199 1.00 CA12 (0.47) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7532450 0.98 CA12 (0.46) CA12CA1CA2CA4CA9
SCHEMBL457477 0.98
Nitric Acid SCHEMBL2564368 0.91 CA12 (0.42) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887927-B1 EXTENDED RELEASE COMPOSITIONS OF AN AMINO-C2-C6-ALKYL NITRATE CARDIOLYNX AG (CH) 2018-03-28 EP disclosed
US-20180036259-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION MIRANDAPHARMACEUTICALS AG (CH) 2018-02-08 US disclosed
US-20180008558-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2018-01-11 US disclosed
US-20170100350-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2017-04-13 US disclosed
WO-2016135262-A1 NO DONORS FOR THE TREATMENT OF IMPAIRED TISSUE PERFUSION CARDIOLYNX AG (CH) 2016-09-01 WO disclosed
WO-2016135263-A1 NO DONORS FOR THE TREATMENT OF STRESS-INDUCED PULMONARY HAEMORRHAGE IN ANIMALS SCHERHAG ARMIN (CH) 2016-09-01 WO disclosed
CN-104869985-A Extended release compositions of an aminoalkyl nitrate CARDIOLYNX AG 2015-08-26 CN disclosed
US-20150216992-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2015-08-06 US disclosed
EP-2887927-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE Cardiolynx AG (CH) 2015-07-01 EP disclosed
WO-2014029841-A1 EXTENDED RELEASE COMPOSITIONS OF AN AMINOALKYL NITRATE CARDIOLYNX AG (CH) 2014-02-27 WO disclosed
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-08-27 US disclosed
US-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC. (US) 2009-02-19 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 WO disclosed
WO-2007016136-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITONS AND METHODS OF USE NITROMED, INC. (US) 2007-02-08 WO disclosed
WO-2006099058-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-09-21 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 CA12 3352/4885CA1 3679/4885CA2 1214/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 CA12 3513/4885CA1 3330/4885CA2 728/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 CA12 4070/4885CA1 3341/4885CA2 1212/4885

“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.