SCHEMBL2624740

SCHEMBL2624740

COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
MAPK10 P53779 1/20 0.62
SMO Q99835 1/20 0.61
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.54
TSHR P16473 1/20 0.54
TLR9 Q9NR96 1/20 0.54
GAA P10253 3/20 0.53
RAB9A P51151 2/20 0.53
GLA P06280 2/20 0.53
SIRT1 Q96EB6 1/20 0.53
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2624739 0.90 KDM4E (0.55) KDM4EMAPK10SMOMAPTALDH1A1
SCHEMBL2740177 0.85 ALDH1A1 (0.75) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2624689 0.84 SMO (0.60) KDM4EMAPK10SMOMAPTALDH1A1
SCHEMBL18993820 0.84 SMO (0.49) KDM4EMAPK10SMOMAPTALDH1A1
SCHEMBL2624506 0.82 TLR9 (0.63) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL14886519 0.81 SIRT1 (0.54) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2740427 0.79 SIRT1 (0.68) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL2624512 0.79 PDCD1 (0.51) KDM4EMAPK10MAPTALDH1A1LMNA
SCHEMBL24715798 0.79 CASP3 (0.61) KDM4EMAPK10SMOMAPTALDH1A1
SCHEMBL10756796 0.79 TLR9 (0.64) KDM4EMAPK10SMOMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383837-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2019-08-20 US disclosed
US-20190224152-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2019-07-25 US disclosed
US-9855235-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2018-01-02 US disclosed
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2017-11-02 US disclosed
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2017-11-02 US disclosed
US-9682053-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682053-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2017-06-20 US disclosed
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-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2016-11-24 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-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
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 (9 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 1227/4885MAPK10 1595/4885SMO 2239/4885
US-20190224152-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB KDM4E 777/4885MAPK10 1781/4885SMO 2320/4885
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 540/4885MAPK10 873/4885SMO 2537/4885
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 1399/4885MAPK10 2337/4885SMO 2047/4885
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB KDM4E 777/4885MAPK10 1781/4885SMO 2320/4885
US-20070043050-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1388/4885MAPK10 892/4885SMO 2542/4885
US-10383837-B2 Compositions and methods for modulating metabolic pathways PC, HADHB, ACACB KDM4E 777/4885MAPK10 1781/4885SMO 2320/4885
US-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB KDM4E 777/4885MAPK10 1781/4885SMO 2320/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1388/4885MAPK10 892/4885SMO 2542/4885

“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.