SCHEMBL220899

SCHEMBL220899

O=[N+]([O-])c1ccccc1-c1cn2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
RAB9A P51151 15/20 0.60
NPC1 O15118 14/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
MAPT P10636 7/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 2/20 0.54
KDM4E B2RXH2 6/20 0.51
POLB P06746 3/20 0.51
PKM P14618 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL18807109 0.84 CASP3 (0.54) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL21708005 0.83 NPC1 (0.52) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL18807108 0.82 RAB9A (0.46) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL219665 0.79 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1661155 0.77 CASP3 (0.73) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL3130863 0.76 RAB9A (0.57) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL6391407 0.76 CASP3 (1.00) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL2129269 0.75 RAB9A (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL31731985 0.75 RAB9A (0.67) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL10978758 0.74 RAB9A (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-09 US disclosed
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME HEESUNG MATERIAL LTD. (KR) 2017-11-09 US disclosed
EP-3214085-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME Heesung Material Ltd. (KR) 2017-09-06 EP disclosed
US-9728730-B2 Compound for organic optoelectric device and composition and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2017-08-08 US disclosed
US-9728730-B2 Compound for organic optoelectric device and composition and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2017-08-08 US disclosed
EP-3165527-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Samsung Display Co., Ltd. (KR) 2017-05-10 EP disclosed
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-20150303381-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND COMPOSITION AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-10-22 US disclosed
US-20150303381-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND COMPOSITION AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-10-22 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-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 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 (5 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 CASP3 977/4885SENP8 437/4885SENP7 637/4885
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 CASP3 674/4885SENP8 709/4885SENP7 874/4885
US-20150303381-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE AND COMPOSITION AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OR10J3, OXER1, OCIAD1 CASP3 2376/4885SENP8 2812/4885SENP7 4339/4885
US-20170125696-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME VDAC1, VDAC2, MCOLN2 CASP3 3386/4885SENP8 3981/4885SENP7 4028/4885
US-20170324046-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, PER2 CASP3 2914/4885SENP8 1142/4885SENP7 2443/4885

“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.