SCHEMBL220705

SCHEMBL220705

CCOC(=O)c1csc2nc(-c3ccccc3[N+](=O)[O-])cn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.47
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL14607823 0.83 F2RL3 (0.48) F2RL3HDAC3HDAC4HDAC1HDAC7
SCHEMBL13470766 0.83 ALDH1A1 (0.43) PTGS2MAPK1ALDH1A1GAARAB9A
SCHEMBL13470875 0.80 F2RL3 (0.50) F2RL3HDAC3HDAC4HDAC1HDAC7
SCHEMBL218618 0.80 F2RL3 (0.51) F2RL3PTGS2PTGS1MAPK1ALDH1A1
SCHEMBL2624439 0.80 IDO1 (0.41) PTGS2MAPK1ALDH1A1MAPTLMNA
SCHEMBL27736269 0.79 F2RL3 (0.47) F2RL3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL221942 0.79 GAA (0.44) F2RL3PTGS2PTGS1MAPK1ALDH1A1
SCHEMBL13470789 0.79 ALDH1A1 (0.40) PTGS2ALDH1A1GAAMAPTLMNA
SCHEMBL221297 0.79 IDO1 (0.42) PTGS2MAPK1ALDH1A1RAB9AMAPT
SCHEMBL218601 0.78 F2RL3 (0.47) F2RL3ALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167510-B1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-02-25 EP disclosed
EP-2167510-B1 SIRTUIN MODULATING IMIDAZOTHIAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-02-25 EP disclosed
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
EP-1910384-B1 IMIDAZO [2,1-B]THIAZOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-10 EP disclosed
EP-1910384-B1 IMIDAZO [2,1-B]THIAZOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-10 EP disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 US disclosed
US-8247565-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-21 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-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
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

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 F2RL3 2220/4885PTGS2 483/4885PTGS1 1107/4885
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 F2RL3 3049/4885PTGS2 845/4885PTGS1 570/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 F2RL3 1546/4885PTGS2 1150/4885PTGS1 925/4885

“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.