SCHEMBL2858719

SCHEMBL2858719

O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)c3ccccc23)c1.[Na+].[Na+]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 2/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ GLO1 Q04760 3/20 0.44
▸ SENP3 Q9H4L4 2/20 0.43
▸ SENP2 Q9HC62 2/20 0.43
▸ SENP1 Q9P0U3 2/20 0.43
▸ SUMO2 P61956 1/20 0.43
▸ SUMO1 P63165 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ CHAT P28329 2/20 0.43
▸ SNCA P37840 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ENPP2 Q13822 2/20 0.39
▸ GAA P10253 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL29356356 1.00 KMT2A (0.52) KMT2AMEN1THRBGLO1SENP3
SCHEMBL28467677 0.93 THRB (0.61) KMT2AMEN1THRBGLO1SENP3
SCHEMBL2862763 0.92 SNCA (0.45) KMT2AMEN1THRBGLO1SENP3
SCHEMBL29425663 0.92 SNCA (0.45) KMT2AMEN1THRBGLO1SENP3
SCHEMBL591337 0.87 THRB (0.53) KMT2AMEN1THRBCHATSNCA
SCHEMBL2862964 0.87 THRB (0.53) KMT2AMEN1THRBCHATSNCA
SCHEMBL29353590 0.87 THRB (0.53) KMT2AMEN1THRBCHATSNCA
SCHEMBL29401264 0.84 KMT2A (0.71) KMT2AMEN1THRBGLO1SENP3
SCHEMBL15276051 0.84 KMT2A (0.71) KMT2AMEN1THRBGLO1SENP3
SCHEMBL28414211 0.84 KMT2A (0.69) KMT2AMEN1THRBGLO1SENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
US-20210115489-A1 NOVEL MEDIATOR KIKKOMAN CORPORATION (JP) 2021-04-22 — — US disclosed
EP-3780207-A1 NOVEL MEDIATOR Kikkoman Corporation (JP) 2021-02-17 — — EP disclosed
CN-111296492-A Diatomite-tea geometrid nuclear polyhedrosis virus composition and application thereof 广西益才农业发展有限公司 2020-06-19 — — CN disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 — — US disclosed
EP-3533859-A1 CLEANING COMPOSITIONS The Procter & Gamble Company (US) 2019-09-04 — — EP disclosed
EP-3533858-A1 CLEANING COMPOSITION COMPRISING A GLYCOGEN-DEBRANCHING ENZYME AND METHODS OF CLEANING The Procter & Gamble Company (US) 2019-09-04 — — EP disclosed
US-20190264139-A1 CLEANING COMPOSITIONS THE PROCTER AND GAMBLE COMPANY 2019-08-29 — — US disclosed
US-20190264140-A1 METHODS OF CLEANING THE PROCTER AND GAMBLE COMPANY 2019-08-29 — — US disclosed
EP-3246462-B1 COLOUR TRANSFER-INHIBITING MATERIAL ACONDICIONAMIENTO TARRASENSE (ES) 2018-11-28 — — EP disclosed
WO-2017194331-A1 USE OF POLYIMIDAZOLIUM SALTS AS DYE TRANSFER INHIBITORS BASF SE (DE) 2017-11-16 — — WO disclosed
EP-2961820-B1 COLOR-PROTECTING DETERGENT HENKEL AG & CO KGAA (DE) 2017-09-13 — — EP disclosed
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2017-02-09 — — US disclosed
US-9546344-B2 Color-protecting detergent HENKEL AG & CO. KGAA (DE) 2017-01-17 — — US disclosed
US-20150368590-A1 COLOR-PROTECTING DETERGENT HENKEL AG & CO. KGAA (DE) 2015-12-24 — — US disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 — — US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 — — US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 — — US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 — — US disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 — — 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-20210115489-A1 NOVEL MEDIATOR MPO, EPX, LPO THRB 4364/4885KMT2A 3104/4885MEN1 2351/4885
US-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 THRB 4713/4885KMT2A 3316/4885MEN1 4111/4885
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE SMOX, TET2, TST THRB 3469/4885KMT2A 1342/4885MEN1 2265/4885

“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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