SCHEMBL220835

SCHEMBL220835

Cc1[c]c([N+](=O)[O-])cc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 5/20 0.38
ACHE P22303 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 5/20 0.33
KDM4E B2RXH2 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11458412 0.81 TSHR (0.45) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL7274798 0.81 TSHR (0.50) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL28723924 0.79 TSHR (0.44) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL9050409 0.79 TSHR (0.34) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL6263483 0.79 TSHR (0.42) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL27186888 0.79 CYP1A2 (0.36) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL7820196 0.75 HPRT1 (0.49) TSHRACHEHSD17B10ALDH1A1TDP1
SCHEMBL3898476 0.70 TSHR (0.58) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL261451 0.70 TDP1 (0.45) TSHRGPR35CYP3A4ACHEHSD17B10
SCHEMBL6047879 0.70 MAPK1 (0.43) ALDH1A1TDP1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465814-B2 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2008-12-16 US claimed
CN-101277963-A Benzimidazole derivatives as SIRTUIN modulators SIRTIS PHARMACEUTICALS INC (US) 2008-10-01 CN claimed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
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 claimed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US claimed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP claimed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US 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
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US disclosed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP disclosed
EP-0322926-A2 Assays utilizing improved chemiluminescent esters, thioesters and amides LONDON DIAGNOSTICS, INC. (US) 1989-07-05 EP 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 (4 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-20060105412-A1 Sulfonate compound and fluorescent probe using the same SLCO1B3, CBR3, SLCO2B1 TSHR 2467/4885GPR35 3517/4885CYP3A4 276/4885
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 TSHR 3288/4885GPR35 662/4885CYP3A4 3563/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TSHR 2629/4885GPR35 4560/4885CYP3A4 26/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 TSHR 2980/4885GPR35 478/4885CYP3A4 3747/4885

“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.