SCHEMBL221453

SCHEMBL221453

COc1cc(OCC(=O)N2CC3C(N)C3C2)ccc1-c1cccc(N)n1.COc1cc(OCCN2CC3C(N)C3C2)ccc1-c1cccc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 0.41
NOS3 P29474 10/20 0.41
NOS2 P35228 7/20 0.41
DRD3 P35462 2/20 0.38
GAA P10253 1/20 0.38
CBX7 O95931 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL6583013 0.95 CBX7 (0.41) NOS1NOS3NOS2GAACBX7
SCHEMBL6583956 0.90 NOS1 (0.48) NOS1NOS3NOS2
SCHEMBL957006 0.87 NOS3 (0.48) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL4290837 0.87 LMNA (0.41) NOS1NOS3NOS2GAACBX7
SCHEMBL222427 0.82 NOS3 (0.48) NOS1NOS3NOS2KDM4ESMN1; SMN2
SCHEMBL221914 0.79 NOS3 (0.63) NOS1NOS3NOS2KDM4EALDH1A1
SCHEMBL6585074 0.76 ACACA (0.50) NOS1NOS3KDM4E
SCHEMBL4282766 0.76 NOS1 (0.53) NOS1NOS3NOS2GAAKDM4E
SCHEMBL221387 0.75 NOS1 (0.46) NOS1NOS3NOS2
SCHEMBL6583088 0.75 NOS1 (0.40) NOS1NOS3NOS2CBX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC (US) 2015-06-25 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-8093401-B2 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
US-8088928-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8044198-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-25 US disclosed
US-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
US-7855289-B2 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-20090163476-A1 N-Phenyl Benzamide Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-7345178-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US disclosed
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRTRIS PHARMACEUTICALS, INC. (US) 2006-12-07 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 (13 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-20110130387-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 NOS1 728/4885NOS3 1835/4885NOS2 1029/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 NOS1 297/4885NOS3 462/4885NOS2 198/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 NOS1 737/4885NOS3 940/4885NOS2 870/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885NOS2 217/4885
US-20090163476-A1 N-Phenyl Benzamide Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 NOS1 280/4885NOS3 291/4885NOS2 225/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 NOS1 317/4885NOS3 330/4885NOS2 171/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 NOS1 624/4885NOS3 779/4885NOS2 687/4885
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRT2, SIRT1, SIRT3 NOS1 457/4885NOS3 422/4885NOS2 136/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 NOS1 624/4885NOS3 779/4885NOS2 687/4885

“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.