Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL253374

CCOc1cc(-c2cc3cc-3n2)c(OC)cc1OCCN(C)C.COc1cc(OCc2ccccc2)c(O)cc1-c1cccc(-n2c(C)ccc2C)n1.N

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.44
NOS3 P29474 4/20 0.44
EGFR P00533 1/20 0.34
NOS2 P35228 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CHEK1 O14757 2/20 0.32
PTGER1 P34995 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MCHR1 Q99705 1/20 0.32
QPCT Q16769 1/20 0.31
ABCB1 P08183 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
SCHEMBL424624 0.91 NOS1 (0.57) NOS1NOS3EGFRNOS2KMT2A
SCHEMBL253373 0.86 NOS1 (0.42) NOS1NOS3EGFRNOS2KMT2A
SCHEMBL4286592 0.83 PTGER1 (0.41) PTGER1
SCHEMBL4818708 0.80 NOS1 (0.41) NOS1NOS3EGFRNOS2KMT2A
SCHEMBL7077507 0.78 NOS3 (0.43) NOS1NOS3PTGER1
SCHEMBL5778138 0.73 NOS1 (0.47) NOS1NOS3PTGER1
SCHEMBL7073841 0.72 KDM4E (0.37) NOS1NOS3PTGER1
SCHEMBL6581790 0.69 MAOB (0.44) KMT2AMEN1MAPT
SCHEMBL4286467 0.69 NOS1 (0.89) NOS1NOS3NOS2
SCHEMBL6583126 0.68 NOS3 (0.50) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-11 US disclosed
WO-2018033639-A1 LACTONE INTERMEDIATES OF NICOTINAMIDE RIBOSIDE AND NICOTINATE RIBOSIDE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-02-22 WO disclosed
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-20 US disclosed
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC (US) 2015-06-25 US disclosed
EP-2805719-A1 Nicotinamide riboside and analogues thereof Glaxosmithkline LLC (US) 2014-11-26 EP disclosed
EP-1910362-B9 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2013-02-20 EP disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
EP-1910384-B1 IMIDAZO [2,1-B]THIAZOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-10 EP disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 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
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRTRIS PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006094233-A1 N,N'-DICYCLIC ISOTHIOUREA SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094246-A2 N-ARYLMETHYL BENZAMIDE SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094210-A2 TETRAHYDROQUINOXALINONE SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094235-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094248-A1 ARYL-SUBSTITUTED CYCLIC SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 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 (7 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-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 462/4885EGFR 4585/4885
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT NOS1 1911/4885NOS3 2462/4885EGFR 4856/4885
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 940/4885EGFR 4319/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885EGFR 3941/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT NOS1 1911/4885NOS3 2462/4885EGFR 4856/4885
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRT2, SIRT1, SIRT3 NOS1 457/4885NOS3 422/4885EGFR 4849/4885
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885EGFR 3941/4885

“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.