SCHEMBL3196947

SCHEMBL3196947

O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)ccc2c1.O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)O)cc3)c(O)ccc2c1.[Na+].[Na+]

nearest known ligand 0.88

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 1/20 0.88
▸ CYP1A2 P05177 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ TSHR P16473 1/20 0.57
▸ PTPRA P18433 1/20 0.57
▸ PTPRB P23467 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ RAPGEF4 Q8WZA2 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PTPN1 P18031 2/20 0.55
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ APP P05067 1/20 0.54
▸ SENP7 Q9BQF6 2/20 0.50
▸ SUMO2 P61956 1/20 0.50

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
SCHEMBL4808237 1.00 THRB (0.88) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL29489969 1.00 THRB (0.88) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL142458 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL13276157 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL29350765 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
E110 SCHEMBL323402 0.93 THRB (1.00) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL30486026 0.93 CYP1A2 (0.83) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL30940027 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL628908 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA
SCHEMBL112146 0.92 CYP1A2 (0.85) THRBCYP1A2CYP2C9TSHRPTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235270-A1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2022-07-28 — — US claimed
EP-3986979-A1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL The University Court Of The University of Edinburgh (GB) 2022-04-27 — — EP claimed
WO-2020254813-A1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2020-12-24 — — WO claimed
WO-2019216829-A1 APPLICATION OF A FOOD AZO DYE, BRILLIANT BLACK BN, ON INHIBITION OF INFECTIVITY OF HUMAN ENTEROVIRUSES CAUSING HAND FOOT AND MOUTH DISEASES TEMASEK LIFE SCIENCES LABORATORY LIMITED (SG) 2019-11-14 — — WO claimed
US-12491157-B1 Atomoxetine hydrochloride oral suspension and use thereof OWP Pharmaceuticals, Inc. 2025-12-09 — — US disclosed
US-12478584-B1 Atomoxetine hydrochloride oral suspension and use thereof OWP PHARMACEUTICALS INC (US) 2025-11-25 — — US disclosed
US-12460135-B2 System comprising a nematic liquid crystal and an interface THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-11-04 — — US disclosed
EP-4054523-B1 ORALLY ADMINISTRABLE FILMS COMPRISING POORLY WATER SOLUBLE ACTIVE INGREDIENTS AND PREPARATION THEREOF BIOTA LTD (IL) 2025-08-06 — — EP disclosed
EP-3986979-B1 DEFECT MEDIATED LYOTROPIC NEMATIC GEL UNIV COURT UNIV OF EDINBURGH (GB) 2025-07-30 — — EP disclosed
US-12332254-B2 Systems, compositions, and methods for evaluating biomechanical properties of cells CORNELL UNIVERSITY (US) 2025-06-17 — — US disclosed
US-12012541-B2 Defect mediated lyotropic nematic gel THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2024-06-18 — — US disclosed
US-20240158696-A1 A SYSTEM COMPRISING A NEMATIC LIQUID CRYSTAL AND AN INTERFACE THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2024-05-16 — — US disclosed
US-20060162097-A1 Dye-containing pellets for dyeing keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2006-07-27 — — US disclosed
US-20060121070-A1 Dyestuff for keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-06-08 — — US disclosed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 — — US disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US disclosed
US-20040098815-A1 Coluoring agent for keratin fibres HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-05-27 — — US disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 — — US disclosed
US-20020189031-A1 Use of salts for improving the absorption qualities of anionic direct dyes WELLA AKTIENGESELLSCHAFT (DE) 2002-12-19 — — US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 — — 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 (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-12491157-B1 Atomoxetine hydrochloride oral suspension and use thereof SLC6A4, SLC6A3, MBOAT4 THRB 1816/4885CYP1A2 1334/4885CYP2C9 891/4885
US-20030159222-A1 Oxidation dye KRT18, NOX4, VIM THRB 3444/4885CYP1A2 384/4885CYP2C9 1339/4885
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 THRB 2956/4885CYP1A2 359/4885CYP2C9 436/4885
US-12478584-B1 Atomoxetine hydrochloride oral suspension and use thereof SLC6A4, SLC6A3, MBOAT4 THRB 1816/4885CYP1A2 1334/4885CYP2C9 891/4885
US-20040098815-A1 Coluoring agent for keratin fibres KRT18, DSG1, KIF5B THRB 4724/4885CYP1A2 1510/4885CYP2C9 3442/4885

“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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