SCHEMBL2739987

SCHEMBL2739987

COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
MAPT P10636 4/20 0.80
TP53 P04637 3/20 0.80
SIRT1 Q96EB6 2/20 0.79
GAA P10253 3/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
HPGD P15428 5/20 0.67
HSD17B10 Q99714 5/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
HTT P42858 1/20 0.67
NPSR1 Q6W5P4 3/20 0.66
TDP1 Q9NUW8 1/20 0.66
PKM P14618 1/20 0.65
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
USP2 O75604 1/20 0.64
TSHR P16473 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL5309636 0.91 SIRT1 (0.78) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2624542 0.89 MAPT (1.00) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2739985 0.88 SIRT1 (1.00) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2739989 0.87 SMN1; SMN2 (1.00) KDM4EMAPTTP53SIRT1GAA
SCHEMBL9926443 0.87 SMN1; SMN2 (0.82) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2739988 0.87 SIRT1 (0.71) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2739981 0.86 SIRT1 (0.73) KDM4EMAPTTP53SIRT1GAA
SCHEMBL2739978 0.86 SIRT1 (0.84) KDM4EMAPTTP53SIRT1GAA
SCHEMBL24711501 0.86 SIRT1 (0.84) KDM4EMAPTTP53SIRT1GAA
SCHEMBL25234022 0.86 GAA (0.77) KDM4EMAPTTP53SIRT1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 US disclosed
US-9585907-B2 Methods and compositions for modulating Tau levels THE J. DAVID GLADSTONE INSTITUTES (US) 2017-03-07 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 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
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
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
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 (6 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 KDM4E 1227/4885MAPT 2062/4885TP53 459/4885
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 KDM4E 3989/4885MAPT 2408/4885TP53 4754/4885
US-20150133527-A1 REGULATION OF CARDIAC SODIUM CHANNELS BY SIRT1 AND SIRT1 ACTIVATORS SIRT1, SIRT5, SIRT3 KDM4E 352/4885MAPT 4569/4885TP53 4774/4885
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 KDM4E 540/4885MAPT 445/4885TP53 2203/4885
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 KDM4E 1399/4885MAPT 2184/4885TP53 506/4885
US-20160015733-A1 METHODS AND COMPOSITIONS FOR MODULATING TAU LEVELS MAPT, NEFM, PSEN2 KDM4E 3152/4885MAPT 1/4885TP53 538/4885

“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.