SCHEMBL2739939

SCHEMBL2739939

COc1cc(C(=O)Nc2cc(CN(C)C)cc(-c3nc4ccncc4s3)c2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 10/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
GFER P55789 1/20 0.42
MCL1 Q07820 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
HPGD P15428 2/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL2624639 0.91 SMN1; SMN2 (0.51) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL220963 0.86 RXFP1 (0.54) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL220035 0.85 RXFP1 (0.53) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2624617 0.83 RXFP1 (0.59) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL14614788 0.83 RXFP1 (0.51) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL14580371 0.81 RXFP1 (0.48) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2624779 0.79 RXFP1 (0.60) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2740092 0.76 RXFP1 (0.59) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2624448 0.76 RXFP1 (0.61) RXFP1SMN1; SMN2KDM4ERAB9AMAPT
SCHEMBL2624616 0.74 LMNA (0.58) RXFP1SMN1; SMN2KDM4ERAB9AMAPT

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 50 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-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-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 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-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
WO-2007019417-A1 OXAZOLOPYRIDINE 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-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

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-20120225864-A1 Methods and Compositions for Modulating Tau Levels MAPT, NEFM, PSEN2 RXFP1 4294/4885SMN1; SMN2 255/4885KDM4E 3152/4885
US-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 RXFP1 2440/4885SMN1; SMN2 4063/4885KDM4E 750/4885
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 RXFP1 642/4885SMN1; SMN2 1160/4885KDM4E 1227/4885
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 RXFP1 1471/4885SMN1; SMN2 2663/4885KDM4E 540/4885
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 RXFP1 850/4885SMN1; SMN2 1245/4885KDM4E 1399/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 RXFP1 693/4885SMN1; SMN2 1572/4885KDM4E 1599/4885
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS MAPT, NEFM, PSEN2 RXFP1 4294/4885SMN1; SMN2 255/4885KDM4E 3152/4885

“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.