SCHEMBL3862398

SCHEMBL3862398

O=C(O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL7761721 0.89 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL7761443 0.89 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL7662112 0.81 ALDH1A1 (0.54) ALDH1A1MEN1LMNABLMHBB
SCHEMBL7658497 0.81 ALDH1A1 (0.54) ALDH1A1MEN1LMNABLMHBB
SCHEMBL7768788 0.79 ALDH1A1 (0.52) ALDH1A1
Potassium Ion SCHEMBL7774839 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL7663993 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL7662206 0.79 ALDH1A1 (0.52) ALDH1A1
SCHEMBL13685884 0.77 ALDH1A1 (0.50) ALDH1A1HIF1A
SCHEMBL2015730 0.77 ALDH1A1 (0.50) ALDH1A1HIF1A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001028975-A2 METHOD FOR PRODUCTION OF 3-NITRYLOXY-2,2-BIS(NITRYLOXYMETHYL)-PROPANAL ALPHARMA-ISIS GMBH & CO. KG (DE) 2001-04-26 WO claimed
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US claimed
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-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NITROMED, INC. (US) 2009-02-12 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
EP-1883614-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-02-06 EP disclosed
EP-1877374-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN CONVERTING ENZYME INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2008-01-16 EP disclosed
EP-1861093-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-12-05 EP disclosed
EP-1858525-A2 ORGANIC NITRIC OXIDE DONOR SALTS OF ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-11-28 EP disclosed
WO-2007123818-A2 ORGANIC NITRIC OXIDE ENHANCING SALTS OF PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2007-11-01 WO disclosed
US-6365611-B1 HYDROPHILIC NITRATE VASODILATORS ISIS PHARMA GMBH (DE) 2002-04-02 US disclosed
EP-1087926-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS Alpharma-Isis GmbH & Co. KG (DE) 2001-04-04 EP disclosed
US-6180664-B1 CARDIOVASCUALR DISORDERS; IMPOTENCY ISIS PHARMA GMBH (DE) 2001-01-30 US disclosed
US-6100263-A CONTROLLING ANIMAL PESTS OR HARMFUL FUNGI; 2-METHOXYIMINO-2-(2'-(1?-METHYL,1?-(1?'-(6??-(4??'-CHLOROPHENYL) -HEXYLOXYIMINO) ,2?',2?'-DIMETHYLPROPYL))IMINOOXYMETHYL)-PHENYLACETIC ACID MONOMETHYLAMIDE, FOR EXAMPLE BASF AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
EP-1009730-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GmbH (DE) 2000-06-21 EP disclosed
EP-0988282-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 2000-03-29 EP disclosed
WO-1999067430-A2 ANALYTIC SUBSTRATES AND ANTIOXIDATIVE AGENTS ALPHARMA-ISIS GMBH & CO. KG (DE) 1999-12-29 WO disclosed
WO-1998056759-A2 NOVEL PENTAERYTHRITE DERIVATIVES, THE PRODUCTION AND USE THEREOF AND INTERMEDIATE PRODUCTS FOR THE SYNTHESIS OF THE SAME ISIS PHARMA GMBH (DE) 1998-12-17 WO disclosed
WO-1998015521-A1 NEW PENTAERYTHRITOL DERIVATIVES, THEIR PRODUCTION AND USE AND INTERMEDIATES FOR THEIR SYNTHESIS ISIS PHARMA GMBH (DE) 1998-04-16 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-20090048219-A1 ORGANIC NITRIC OXIDE DONOR SALTS OF NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS3, NOS1, NOS2 ALDH1A1 630/4885MEN1 4231/4885LMNA 4765/4885
US-20090215838-A1 ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE NOS2, NOS3, NOS1 ALDH1A1 1240/4885MEN1 2078/4885LMNA 1935/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 ALDH1A1 1202/4885MEN1 2094/4885LMNA 2062/4885
US-20090042819-A1 Organic nitric oxide donor salts of antimicrobial compounds, compositions and methods of use NOS1, NOS2, NOS3 ALDH1A1 2518/4885MEN1 2233/4885LMNA 3862/4885

“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.