SCHEMBL219490

SCHEMBL219490

O=C(O)c1cc(-c2nc3ncccc3o2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
MITF O75030 2/20 0.50
POLB P06746 2/20 0.50
ADRB2 P07550 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 8/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
ALOX12 P18054 1/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2624411 0.87 RAB9A (0.47) RAB9AMITFPOLBADRB2SMN1; SMN2
SCHEMBL219092 0.87 RAB9A (0.49) RAB9AMITFPOLBADRB2SMN1; SMN2
SCHEMBL13799550 0.82 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL220919 0.82 RAB9A (0.50) RAB9AMITFPOLBADRB2SMN1; SMN2
SCHEMBL11953297 0.81 NPC1 (0.62) RAB9APOLBSMN1; SMN2GAAALDH1A1
SCHEMBL11646166 0.81 NPC1 (0.61) RAB9AMITFPOLBADRB2SMN1; SMN2
SCHEMBL10282603 0.81 MAPT (0.46) RAB9AMITFPOLBADRB2SMN1; SMN2
SCHEMBL219613 0.79 SMN1; SMN2 (0.69) RAB9APOLBSMN1; SMN2GAAALDH1A1
SCHEMBL13039405 0.79 SMN1; SMN2 (0.51) RAB9APOLBSMN1; SMN2GAAALDH1A1
SCHEMBL3941218 0.73 GLRA3 (0.42) POLBSMN1; SMN2ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO 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
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-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-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO 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 (3 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 RAB9A 515/4885MITF 3349/4885POLB 2083/4885
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 RAB9A 1526/4885MITF 2481/4885POLB 1364/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 RAB9A 965/4885MITF 2695/4885POLB 1951/4885

“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.