SCHEMBL2739977

SCHEMBL2739977

COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1C(F)(F)F

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.80
KDM4E B2RXH2 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.65
GAA P10253 3/20 0.65
HPGD P15428 5/20 0.59
HSD17B10 Q99714 5/20 0.59
TP53 P04637 4/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
PKM P14618 1/20 0.57
NPSR1 Q6W5P4 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL2624534 0.91 MAPT (0.69) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2739985 0.89 SIRT1 (1.00) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL24711501 0.87 SIRT1 (0.84) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2624612 0.87 SIRT1 (0.84) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL24711187 0.84 SIRT1 (0.79) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2624606 0.84 SIRT1 (0.86) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2739987 0.84 KDM4E (0.80) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2739976 0.83 HPGD (0.64) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL5309636 0.83 SIRT1 (0.78) SIRT1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL2739980 0.82 POLB (0.81) SIRT1KDM4ESMN1; SMN2GAAHPGD

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 48 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-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-20150133527-A1 REGULATION OF CARDIAC SODIUM CHANNELS BY SIRT1 AND SIRT1 ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-05-14 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-8304206-B2 Mass spectrometry assays for identifying compounds that activate deacetylases SIRTRIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304206-B2 Mass spectrometry assays for identifying compounds that activate deacetylases SIRTRIS PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
US-20120225864-A1 Methods and Compositions for Modulating Tau Levels THE J. DAVID GLADSTONE INSTITUTES 2012-09-06 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-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-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-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-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO 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
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 (8 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-20120225864-A1 Methods and Compositions for Modulating Tau Levels MAPT, NEFM, PSEN2 SIRT1 528/4885KDM4E 3152/4885SMN1; SMN2 255/4885
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 SIRT1 1/4885KDM4E 750/4885SMN1; SMN2 4063/4885
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 2/4885KDM4E 1227/4885SMN1; SMN2 1160/4885
US-20150133527-A1 REGULATION OF CARDIAC SODIUM CHANNELS BY SIRT1 AND SIRT1 ACTIVATORS SIRT1, SIRT5, SIRT3 SIRT1 1/4885KDM4E 352/4885SMN1; SMN2 399/4885
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 1/4885KDM4E 540/4885SMN1; SMN2 2663/4885
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 2/4885KDM4E 1399/4885SMN1; SMN2 1245/4885
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS MAPT, NEFM, PSEN2 SIRT1 528/4885KDM4E 3152/4885SMN1; SMN2 255/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SIRT1 1/4885KDM4E 1388/4885SMN1; SMN2 2106/4885

“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.