SCHEMBL2740404

SCHEMBL2740404

O=C(Nc1ccccc1-c1cn2c(CN3CCC(F)CC3)csc2n1)c1cnc2ccccc2n1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 15/20 0.81
CHRM2 P08172 1/20 0.81
ADRA2A P08913 1/20 0.81
CHRM1 P11229 1/20 0.81
SLC6A2 P23975 1/20 0.81
SIRT2 Q8IXJ6 1/20 0.81
SIRT3 Q9NTG7 1/20 0.81
ACKR3 P25106 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2740407 0.94 SIRT1 (0.80) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740335 0.92 SIRT1 (0.86) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740333 0.91 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740334 0.91 SIRT1 (0.85) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740430 0.90 SIRT1 (0.83) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL29488567 0.89 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL963877 0.89 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624519 0.89 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
Hydrochloric Acid SCHEMBL16372055 0.89 SIRT1 (0.98) SIRT1CHRM2ADRA2ACHRM1SLC6A2
Hydrochloric Acid SCHEMBL30156752 0.89 SIRT1 (0.98) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585907-B2 Methods and compositions for modulating Tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2017-03-07 US disclosed
US-9585907-B2 Methods and compositions for modulating Tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2017-03-07 US disclosed
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS THE J. DAVID GLADSTONE INSTITUTES 2016-01-21 US disclosed
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS THE J. DAVID GLADSTONE INSTITUTES 2016-01-21 US disclosed
US-9040521-B2 Methods and compositions for modulating tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2015-05-26 US disclosed
US-9040521-B2 Methods and compositions for modulating tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2015-05-26 US disclosed
US-8748464-B2 Use of SIRT1 activators or inhibitors to modulate an immune response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-06-10 US disclosed
US-8748464-B2 Use of SIRT1 activators or inhibitors to modulate an immune response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-06-10 US disclosed
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 US disclosed
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070043050-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO 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-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
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (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-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 SIRT1 1/4885CHRM2 473/4885ADRA2A 2603/4885
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 SIRT1 2/4885CHRM2 4024/4885ADRA2A 1990/4885
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 SIRT1 1/4885CHRM2 4790/4885ADRA2A 3791/4885
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 SIRT1 2/4885CHRM2 4038/4885ADRA2A 2344/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SIRT1 1/4885CHRM2 4595/4885ADRA2A 4105/4885
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS MAPT, NEFM, PSEN2 SIRT1 528/4885CHRM2 1242/4885ADRA2A 3187/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SIRT1 1/4885CHRM2 4595/4885ADRA2A 4105/4885

“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.