SCHEMBL2855839

SCHEMBL2855839

O=C1C=Cc2ccccc2/C1=N/Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.35

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
P2RY12 known ✓ Q9H244 6/20 0.35
THRB known ✓ P10828 3/20 0.33
P2RY4 known ✓ P51582 2/20 0.33
ADORA1 known ✓ P30542 1/20 0.31
P2RY2 known ✓ P41231 1/20 0.30
PLCG1 P19174 1/20 0.34
MEN1 O00255 3/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PTPN1 P18031 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 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
SCHEMBL26666880 0.86 POLB (0.41) MEN1POLBMAPTKMT2ATHRB
SCHEMBL21436647 0.83 P2RY4 (0.41) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL21436270 0.80 P2RY4 (0.37) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL2861511 0.80 MAPT (0.39) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL21055662 0.79 ALDH1A1 (0.41) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL342250 0.78 THRB (0.37) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL21436655 0.77 ALDH1A1 (0.41) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL21436238 0.77 ALDH1A1 (0.41) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL21436543 0.76 P2RY4 (0.40) P2RY12MEN1POLBMAPTKMT2A
SCHEMBL4104253 0.76 P2RY4 (0.40) P2RY12MEN1POLBMAPTKMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117451468-A Reagent combination for immunohistochemistry and Masson counterstaining, kit and use method 图凌(杭州)生物医药有限公司 2024-01-26 CN disclosed
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
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
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 US disclosed
CN-104744967-B A kind of HE dyeing liquors of eosin stains liquid and its liquid containing eosin stains 江苏省原子医学研究所 2018-01-02 CN 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
CN-103725040-B A kind of Hematorylin eosin stains liquid and preparation method thereof JIANGSU PROV. INST. OF ATOMIC MEDICINE (CN) 2016-03-23 CN disclosed
WO-2015160841-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2015-10-22 WO disclosed
CN-104744967-A Eosin staining solution and HE staining solution containing same JIANGSU INST NUCLEAR MEDICINE 2015-07-01 CN disclosed
CN-103725040-A Hematoxylin eosin staining solution and preparation method thereof JIANGSU INST NUCLEAR MEDICINE 2014-04-16 CN 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
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
US-5486214-A MONO OR DISAZO DYES, LIGNIN PEROXIDASE AND VERATRYL ALCOHOL MIXTURE FOR DEGRADATION OF DYES IDAHO RESEARCH FOUNDATION, INC. (US) 1996-01-23 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 (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-20210115489-A1 NOVEL MEDIATOR MPO, EPX, LPO P2RY12 1913/4885THRB 4364/4885P2RY4 1946/4885
US-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 P2RY12 2658/4885THRB 4713/4885P2RY4 2255/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 P2RY12 2658/4885THRB 4713/4885P2RY4 2255/4885
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE SMOX, TET2, TST P2RY12 3119/4885THRB 3469/4885P2RY4 2179/4885

“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.