SCHEMBL124487

SCHEMBL124487

CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc([C+](c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c2ccccc2S(=O)(=O)[O-])cc1.[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 14)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CNR2 P34972 13/20 0.40
CNR1 P21554 9/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.37

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
SCHEMBL20740546 0.98 THRB (0.48) THRBMEN1KMT2ATDP1APEX1
SCHEMBL29413087 0.93 THRB (0.50) THRBMEN1KMT2ATDP1APEX1
Ammonia Solution, Strong SCHEMBL1462578 0.91 THRB (0.49) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9106113 0.90 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL126069 0.88 THRB (0.47) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2859161 0.88 THRB (0.56) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2859639 0.88 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2868709 0.88 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL341270 0.87 THRB (0.45) THRBMEN1KMT2ATDP1CNR2
SCHEMBL9108467 0.85 THRB (0.51) THRBMEN1KMT2ATDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891757-B2 Process for dyeing animal textile fibers comprising the use of purified synthetic food dyes VEBACHEM S.R.L.S. (IT) 2024-02-06 US claimed
EP-3987112-B1 PROCESS FOR DYEING ANIMAL TEXTILE FIBERS COMPRISING THE USE OF PURIFIED SYNTHETIC FOOD DYES VEBACHEM S R L S (IT) 2023-08-09 EP claimed
US-20220349121-A1 PROCESS FOR DYEING ANIMAL TEXTILE FIBERS COMPRISING THE USE OF PURIFIED SYNTHETIC FOOD DYES VEBACHEM S.R.L.S. (IT) 2022-11-03 US claimed
CN-114341425-A Dyeing process for animal textile fibres comprising the use of purified synthetic food dyes 韦巴化学有限责任公司 2022-04-12 CN claimed
US-20210000980-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.R.L. (IT) 2021-01-07 US claimed
EP-3752834-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.r.l. (IT) 2020-12-23 EP claimed
WO-2019159124-A1 METHOD AND COMPOSITION FOR THE DETECTION OF ARTHROPODS ARKE' S.R.L. (IT) 2019-08-22 WO claimed
WO-2009134794-A1 MATERIALS AND METHODS FOR CREATING CUSTOMIZED COMPOSITIONS HAVING A TEMPORARY VISUAL INDICATOR MELKER RICHARD J (US) 2009-11-05 WO claimed
US-6984303-B2 Electrochemical production of dyes using graphite felt electrodes NOVEON IP HOLDINGS CORP. (US) 2006-01-10 US claimed
US-20040163968-A1 Electrochemical production of dyes using graphite felt electrodes EMERALD HILTON DAVIS, LLC 2004-08-26 US claimed
EP-0743523-B1 Dye-based reference material, preparation and use thereof BAYER AG (US) 2002-08-28 EP claimed
US-20260114381-A1 INJECTION SYSTEMS, INJECTION TOOLS AND METHODS FOR SAME INVAIO SCIENCES INT GMBH (CH) 2026-04-30 US disclosed
EP-3878872-B1 METHOD FOR PRODUCING PARTICULATE WATER ABSORBENT, AND PARTICULATE WATER ABSORBENT PRODUCED BY A METHOD NIPPON CATALYTIC CHEM IND (JP) 2026-04-29 EP disclosed
EP-4716527-A1 A MULTIPLE UNIT ORAL DOSAGE FORM OF DOXYLAMINE SUCCINATE AND PYRIDOXINE HYDROCHLORIDE FREE OF TITANIUM DIOXIDE Italfarmaco SpA (IT) 2026-04-01 EP disclosed
EP-4701617-A1 METHOD FOR DYEING KERATIN FIBERS, COMPRISING THE USE OF A DYE CONTAINING CHITOSANE AND A DYEING COMPOUND, AND THE USE OF AN AFTERTREATMENT AGENT CONTAINING PROTEIN HYDROLYSATE AND/OR AMINO ACID Henkel AG & Co. KGaA (DE) 2026-03-04 EP disclosed
EP-0643113-A1 Aqueous ink compositions containing anti-curl agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-03-15 EP disclosed
EP-0633142-A1 Process for alleviating bleed and improving color in printed elements E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-11 EP disclosed
EP-0592621-A1 AQUEOUS ANIONIC DYE-CONTAINING INK JET INKS. DU PONT (US) 1994-04-20 EP disclosed
WO-1993018103-A1 AQUEOUS ANIONIC DYE-CONTAINING INK JET INKS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-16 WO disclosed
US-5015263-A Composition for coloring skin and method CLAIROL INCORPORATED (US) 1991-05-14 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 (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-20260114381-A1 INJECTION SYSTEMS, INJECTION TOOLS AND METHODS FOR SAME USE1, VMP1, JAK2 THRB 3567/4885MEN1 4103/4885KMT2A 4724/4885

“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.