SCHEMBL2624363

SCHEMBL2624363

O=C(Nc1ccccc1-c1nc2cccnc2o1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ KDR P35968 1/20 0.52
▸ SIRT1 Q96EB6 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.49
▸ SGMS2 Q8NHU3 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ STK33 Q9BYT3 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ PABPC1 P11940 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
SCHEMBL7193497 0.80 KMT2A (0.62) ABCG2MAPTALDH1A1KDM4ESTK33
SCHEMBL2740273 0.74 STK33 (0.54) KDRSIRT1MAPTHPGDALDH1A1
SCHEMBL28555588 0.73 KDR (0.57) ABCG2KDRHPGDSTK33TP53
SCHEMBL13522985 0.73 SGMS2 (0.57) HSD17B10SGMS2HPGDALDH1A1KDM4E
SCHEMBL2740127 0.72 SIRT1 (0.68) KDRSIRT1HSD17B10MAPTHPGD
SCHEMBL6067716 0.72 HDAC1 (0.66) ABCG2MAPTHPGDTP53NPC1
SCHEMBL12750105 0.71 SGMS2 (0.55) HSD17B10SGMS2HPGDALDH1A1KDM4E
SCHEMBL995824 0.71 HDAC6 (0.79) KDRHSD17B10MAPTALDH1A1KDM4E
SCHEMBL13916713 0.70 SGMS2 (0.56) HSD17B10SGMS2MAPTHPGDALDH1A1
SCHEMBL11644616 0.70 SGMS2 (0.57) HSD17B10SGMS2MAPTHPGDALDH1A1

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 71 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-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2016-11-24 — — US disclosed
US-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS NUMETA SCIENCES, INC. 2016-11-24 — — US disclosed
US-9351967-B2 Compositions and methods for modulating metabolic pathways NUSIRT SCIENCES, INC. (US) 2016-05-31 — — US 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
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-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 — — US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 — — 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-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 ABCG2 3768/4885KDR 645/4885SIRT1 2/4885
US-20190224152-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB ABCG2 4650/4885KDR 3552/4885SIRT1 5/4885
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 ABCG2 3971/4885KDR 1539/4885SIRT1 1/4885
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 ABCG2 3790/4885KDR 655/4885SIRT1 2/4885
US-20170312240-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB ABCG2 4650/4885KDR 3552/4885SIRT1 5/4885
US-10383837-B2 Compositions and methods for modulating metabolic pathways PC, HADHB, ACACB ABCG2 4650/4885KDR 3552/4885SIRT1 5/4885
US-20160338983-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC PATHWAYS PC, HADHB, ACACB ABCG2 4650/4885KDR 3552/4885SIRT1 5/4885

“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.

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