SCHEMBL678213

SCHEMBL678213

CC(C)(C)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 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
SCHEMBL16417853 0.81 GAA (0.41) GAAL3MBTL1ALDH1A1
SCHEMBL2623474 0.77
SCHEMBL21697868 0.75
SCHEMBL21179495 0.75
SCHEMBL24565069 0.74 GAA (0.36) GAAL3MBTL1
SCHEMBL5465237 0.73 GAA (0.39) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13811825 0.73 GAA (0.39) GAAL3MBTL1
SCHEMBL21163316 0.72 GAA (0.46) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL679108 0.71 GAA (0.52) GAAL3MBTL1
SCHEMBL14012545 0.71 CYP2D6 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338348-A1 RENIN-ANGIOTENSIN SYSTEM (RAS) MODULATORS FOR TREATMENT OF VIRAL INFECTIONS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS OF TREATING USING THE SAME TROCAR PHARMA INC. (US) 2023-10-26 US disclosed
US-20220202800-A1 Method of Treatment of Organic Acidemias and Other Mitochondria Defects or Deficiencies UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-06-30 US disclosed
US-11207343-B2 Compositions and therapeutic methods AYUVIS RESEARCH, INC. (US) 2021-12-28 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-10414729-B2 Site-specific dynamic nuclear polarization NMR agents NORTH CAROLINA STATE UNIVERSITY (US) 2019-09-17 US disclosed
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 US disclosed
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS UNITED STATES DEPARTMENT OF ENERGY 2017-02-02 US disclosed
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS UNITED STATES DEPARTMENT OF ENERGY 2017-02-02 US disclosed
US-20160218354-A1 Hybrid Electrode For Non-Aqueous Electrolyte Secondary Battery UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2016-07-28 US disclosed
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-08 US disclosed
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NICOX S.A. (FR) 2008-12-11 US disclosed
US-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 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
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-10-30 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB YISSUM RESEARCH DEVELOPMENT COMPANY OF HEBREW UNIVERSITY OF JERUSALEM (IL) 2008-06-26 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 US 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 (16 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-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 GAA 2877/4885L3MBTL1 2210/4885KDM4E 1626/4885
US-11207343-B2 Compositions and therapeutic methods RB1, TNF, FLT1 GAA 1224/4885L3MBTL1 3218/4885KDM4E 2476/4885
US-20230338348-A1 RENIN-ANGIOTENSIN SYSTEM (RAS) MODULATORS FOR TREATMENT OF VIRAL INFECTIONS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS OF TREATING USING THE SAME ACE2, ACE, AGTR1 GAA 4192/4885L3MBTL1 4560/4885KDM4E 2744/4885
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use REN, EDNRB, ECE1 GAA 254/4885L3MBTL1 4453/4885KDM4E 2403/4885
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B GAA 1914/4885L3MBTL1 2488/4885KDM4E 3198/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GAA 2457/4885L3MBTL1 1197/4885KDM4E 2171/4885
US-20170029377-A1 SITE-SPECIFIC DYNAMIC NUCLEAR POLARIZATION NMR AGENTS ADAR, HNRNPR, ANP32A GAA 3999/4885L3MBTL1 1321/4885KDM4E 3842/4885
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use REN, NOX5, NOS3 GAA 1484/4885L3MBTL1 3468/4885KDM4E 3076/4885
US-20080149097-A1 Beta-agonist compounds comprising nitric oxide donor groups and reactive oxygen species scavenger groups and their use in the treatment of respiratory disordersB ADRA2B, ADRA1B, ADRB1 GAA 2496/4885L3MBTL1 3325/4885KDM4E 4245/4885
US-10414729-B2 Site-specific dynamic nuclear polarization NMR agents ADAR, HNRNPR, ANP32A GAA 3999/4885L3MBTL1 1321/4885KDM4E 3842/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GAA 2457/4885L3MBTL1 1197/4885KDM4E 2171/4885
US-20220202800-A1 Method of Treatment of Organic Acidemias and Other Mitochondria Defects or Deficiencies OAT, OTC, HOGA1 GAA 253/4885L3MBTL1 868/4885KDM4E 4188/4885
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use PTGIS, F3, PTGIR GAA 4734/4885L3MBTL1 3969/4885KDM4E 2235/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN GAA 762/4885L3MBTL1 4289/4885KDM4E 2614/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 GAA 1190/4885L3MBTL1 3552/4885KDM4E 1236/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 GAA 1104/4885L3MBTL1 4408/4885KDM4E 3049/4885

“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.