SCHEMBL221334

SCHEMBL221334

Nc1ccncc1-c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.69
KDM4E B2RXH2 8/20 0.69
NPC1 O15118 8/20 0.69
RAB9A P51151 8/20 0.69
HPGD P15428 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
HSD17B10 Q99714 6/20 0.69
NPSR1 Q6W5P4 3/20 0.69
MAPT P10636 3/20 0.69
GAA P10253 2/20 0.69
GLA P06280 1/20 0.69
CDK1 P06493 2/20 0.57
CDK2 P24941 2/20 0.57
MKNK1 Q9BUB5 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
PKN1 Q16512 1/20 0.57
PKN2 Q16513 1/20 0.57
LDHA P00338 1/20 0.56
EPHX2 P34913 1/20 0.56
METAP2 P50579 1/20 0.55

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
SCHEMBL12676445 0.88 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL29424535 0.82 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL218892 0.82 NPC1 (1.00) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL9838273 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL9986747 0.81 KDM4E (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL31458736 0.81 F7 (0.60) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL4110871 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL4110856 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL4118075 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL4105861 0.78 KDM4E (0.69) ALDH1A1KDM4ENPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
EP-2872590-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2015-05-20 EP disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 WO 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 ALDH1A1 1700/4885KDM4E 1227/4885NPC1 3623/4885
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 ALDH1A1 844/4885KDM4E 540/4885NPC1 2905/4885
US-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885KDM4E 3816/4885NPC1 3516/4885

“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.