SCHEMBL3009727

SCHEMBL3009727

O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3)c(O)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.77
▸ CYP2C9 P11712 2/20 0.77
▸ KMT2A Q03164 6/20 0.70
▸ MAPT P10636 5/20 0.70
▸ TDP1 Q9NUW8 4/20 0.70
▸ GAA P10253 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ HIF1A Q16665 2/20 0.70
▸ TSHR P16473 1/20 0.70
▸ PTPRA P18433 1/20 0.70
▸ PTPRB P23467 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ RAPGEF4 Q8WZA2 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ THRB P10828 4/20 0.66
▸ MEN1 O00255 5/20 0.60
▸ MPL P40238 3/20 0.56
▸ CTRC Q99895 1/20 0.56
▸ GLO1 Q04760 1/20 0.56
▸ ENPP2 Q13822 1/20 0.56

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
SCHEMBL3009730 1.00 CYP1A2 (0.77) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL135509 0.99 CYP1A2 (0.75) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL16220563 0.99 CYP1A2 (0.79) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL9343019 0.99 CYP1A2 (0.75) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL14418343 0.92 CYP1A2 (0.85) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL628908 0.92 CYP1A2 (0.85) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL142459 0.92 CYP1A2 (0.85) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL30940027 0.92 CYP1A2 (0.85) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL112146 0.92 CYP1A2 (0.85) CYP1A2CYP2C9KMT2AMAPTTDP1
SCHEMBL4617674 0.91 KMT2A (0.81) CYP1A2CYP2C9KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 — — US claimed
US-10040056-B2 Method for preparing visible light-responsive photocatalyst and visible light-responsive photocatalyst intermediate KANAGAWA UNIVERSITY (JP) 2018-08-07 — — US disclosed
US-20180079952-A1 COLORED ORGANIC PEROXIDE COMPOSITIONS AND METHODS FOR BREAKING HYDRAULIC FRACTURING FLUIDS ARKEMA INC. 2018-03-22 — — US disclosed
US-9856208-B2 Method for producing an arene with an aromatic C—N bond ortho to an aromatic C—O bond THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-01-02 — — US disclosed
US-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-03-09 — — US disclosed
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 — — US disclosed
US-9427387-B2 Color-stable oral care compositions COLGATE-PALMOLIVE COMPANY (US) 2016-08-30 — — US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 — — US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 — — US disclosed
US-20150306000-A1 Color-Stable Oral Care Compositions COLGATE-PALMOLIVE COMPANY 2015-10-29 — — US disclosed
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 — — US disclosed
WO-2007095622-A2 TEST SAMPLE AUTHENTICATION SYSTEM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-08-23 — — WO disclosed
EP-1779104-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE Ciba SC Holding AG (CH) 2007-05-02 — — EP disclosed
WO-2006015962-A1 METHOD OF PRINTING A TIME-TEMPERATURE INDICATOR BASED ON AZO COUPLING REACTIONS ONTO A SUBSTRATE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-02-16 — — WO disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 — — US disclosed
US-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 — — US disclosed
EP-0482593-B1 Polymer scale preventive agent, polymerization vessel for preventing polymer scale deposition, and process of producing polymer using said vessel SHINETSU CHEMICAL CO (JP) 1995-01-11 — — 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 (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-20170066711-A1 METHOD FOR PRODUCING AN ARENE WITH AN AROMATIC C-N BOND ORTHO TO AN AROMATIC C-O BOND AOX1, NOX4, NOXO1 CYP1A2 139/4885CYP2C9 131/4885KMT2A 1354/4885
US-20150306000-A1 Color-Stable Oral Care Compositions TAS2R40, TAS1R1, TAS2R39 CYP1A2 1011/4885CYP2C9 197/4885KMT2A 1718/4885
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 CYP1A2 1159/4885CYP2C9 1172/4885KMT2A 1622/4885

“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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