SCHEMBL2304009

SCHEMBL2304009

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
▸ CA2 known ✓ P00918 1/20 0.36
▸ USP2 O75604 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ENPP2 Q13822 8/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ PLEC Q15149 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ APP P05067 1/20 0.38
▸ PRMT1 Q99873 2/20 0.38
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL109532 1.00 THRB (1.00) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL29833902 1.00 THRB (1.00) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL2304007 0.94 THRB (0.89) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL2304038 0.94 THRB (0.89) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL11100676 0.91 THRB (0.82) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL11129997 0.88 THRB (0.78) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL11129981 0.88 THRB (0.78) THRBUSP2PTPN1ATML3MBTL1
SCHEMBL1755507 0.86 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL12955080 0.86 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2
SCHEMBL31122162 0.86 THRB (0.75) THRBENPP2MEN1KMT2APHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119800740-A Reactive dye ink for digital ink-jet printing and preparation method thereof 青岛大学 2025-04-11 — — CN claimed
CN-118996876-A Pad-batch drying dyeing method for reactive dye with high fixation rate 浙江理工大学科技与艺术学院 2024-11-22 — — CN claimed
CN-115162033-B Low-resource-consumption salt-free low-alkali reactive dye dyeing method 东华大学 2024-07-16 — — CN claimed
CN-117661342-A Organic clay/modified peach gum composite paste for reactive dye printing of tencel/viscose blended fabric and preparation method and application thereof 武汉纺织大学 2024-03-08 — — CN claimed
US-11827797-B2 Ink jet ink for textile printing, ink set, and textile printing method SEIKO EPSON CORPORATION 2023-11-28 — — US claimed
CN-111117363-B Printing and dyeing ink-jet ink, ink set and printing and dyeing method 精工爱普生株式会社 2023-09-08 — — CN claimed
CN-113774686-B Reactive printing paste and rotary screen printing application thereof 绍兴永通印花有限公司 2023-07-11 — — CN claimed
CN-115298271-A Ink for ink-jet textile printing and ink-jet textile printing method 富士胶片株式会社 2022-11-04 — — CN claimed
CN-115162033-A Low-resource-consumption salt-free low-alkali dyeing method for reactive dye 东华大学 2022-10-11 — — CN claimed
CN-110878480-B Active ink for digital printing and preparation method thereof 浙江工业大学 2022-06-21 — — CN claimed
CN-110067141-B Active ink for digital printing 浙江海印数码科技有限公司 2022-04-08 — — CN claimed
EP-3409734-B1 INK COMPOSITION, INK SET, AND RECORDING METHOD SEIKO EPSON CORP (JP) 2022-03-09 — — EP claimed
CN-109321037-B Ink for ink jet textile printing and ink set for ink jet textile printing 精工爱普生株式会社 2022-02-15 — — CN claimed
EP-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP claimed
EP-2877538-A1 HOME FABRIC DYE PRODUCT Punch Industries (IE) 2015-06-03 — — EP claimed
WO-2014006132-A1 HOME FABRIC DYE PRODUCT PUNCH INDUSTRIES (IE) 2014-01-09 — — WO claimed
JP-4750804-B2 — — 2011-08-17 — — JP claimed
JP-2008531514-A — — 2008-08-14 — — JP claimed
EP-1850664-A2 PESTICIDAL CAPSULE FORMULATION Syngeta Participations AG (CH) 2007-11-07 — — EP claimed
WO-2006089747-A2 PRESTICIDAL CAPSULE FORMULATION SYNGENTA PARTICIPATIONS AG (CH) 2006-08-31 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11827797-B2 Ink jet ink for textile printing, ink set, and textile printing method IK, CUL4A, CUL4B THRB 4139/4885CA2 3976/4885USP2 951/4885

“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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