SCHEMBL29377239

SCHEMBL29377239

CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3C)c(O)c12.[Na+].[Na+]

nearest known ligand 0.57

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
▸ CA2 known ✓ P00918 1/20 0.40
▸ THRB known ✓ P10828 2/20 0.40
▸ PTPN1 P18031 3/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GRK2 P25098 1/20 0.50
▸ PLEC Q15149 1/20 0.50
▸ ENPP2 Q13822 5/20 0.48
▸ FUT8 Q9BYC5 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ APP P05067 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL4807909 1.00 PTPN1 (0.57) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL185814 1.00 PTPN1 (0.57) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29534088 0.88 ENPP2 (0.50) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29350172 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL2121243 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL2121238 0.87 ENPP2 (0.56) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL185815 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL1139743 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL110153 0.87 ENPP2 (0.56) MEN1KMT2AENPP2FUT8HTT
SCHEMBL28343203 0.86 USP2 (0.52) PTPN1USP2ATML3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701618-A1 METHOD FOR DYEING KERATIN FIBERS, COMPRISING THE USE OF A DYE CONTAINING CHITOSANE AND A DYEING COMPOUND, AND THE USE OF A SHAMPOO Henkel AG & Co. KGaA (DE) 2026-03-04 — — EP claimed
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 claimed
EP-3723864-B1 THICKENED ONE-COMPONENT HAIR TONER HENKEL AG & CO KGAA (DE) 2026-01-14 — — EP claimed
EP-4452210-B1 DYEING METHOD FOR KERATIN FIBERS COMPRISING A DIRECT AZO-DYE AND AN ORGANIC ALKALIZING AGENT, AND KIT-OF-PARTS THEREOF KAO CORP (JP) 2026-01-14 — — EP claimed
US-12383480-B2 Dyeing method for keratin fibers comprising a direct azo-dye and an organic alkalizing agent, and kit-of-parts thereof KAO CORPORATION (JP) 2025-08-12 — — US claimed
EP-3873402-B1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF AN ORGANIC SILICON COMPOUND, AN ALKALISING AGENT AND A FILM-FORMING POLYMER HENKEL AG & CO KGAA (DE) 2025-02-26 — — EP claimed
EP-3873416-B1 METHOD FOR TREATING HAIR, COMPRISING THE APPLICATION OF A FIRST AGENT (A) HAVING A SILANE AND A CHROMOPHORIC COMPOUND, AND A SECOND AGENT (B) HAVING A FILM-FORMING POLYMER HENKEL AG & CO KGAA (DE) 2025-02-26 — — EP claimed
WO-2025036900-A1 HAIR DYEING COMPOSITION KAO CORPORATION (JP) 2025-02-20 — — WO claimed
US-20250041181-A1 DYEING METHOD FOR KERATIN FIBERS COMPRISING A DIRECT AZO-DYE AND AN ORGANIC ALKALIZING AGENT, AND KIT-OF-PARTS THEREOF KAO CORPORATION (JP) 2025-02-06 — — US claimed
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN claimed
CN-112055604-B Hair dye agent containing direct dye and film-forming hydrophobic polymer 汉高股份有限及两合公司 2023-07-25 — — CN claimed
US-20230225952-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2023-07-20 — — US claimed
EP-4076353-A1 TINTING CONDITIONER HAVING IMPROVED DYEING PERFORMANCE Henkel AG & Co. KGaA (DE) 2022-10-26 — — EP claimed
EP-3836893-B1 METHOD FOR DYEING KERATINOUS MATERIAL, COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN OLIGOALKYLSILOXANE AND A DYEING COMPOUND HENKEL AG & CO KGAA (DE) 2022-09-14 — — EP claimed
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer HENKEL AG & CO. KGAA (DE) 2022-07-12 — — US claimed
US-11331258-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an oligoalkylsiloxane and a dyeing compound HENKEL AG & CO. KGAA (DE) 2022-05-17 — — US claimed
EP-3989920-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF Living Proof, Inc. (US) 2022-05-04 — — EP claimed
CN-114292531-A Acid dye composition and preparation method thereof 广州恩沣新材料科技有限公司 2022-04-08 — — CN claimed
US-11291622-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a dyeing compound and a silicon oil HENKEL AG & CO. KGAA (DE) 2022-04-05 — — US claimed
CN-114222555-A Additives for colorants and methods of use thereof 生活实验公司 2022-03-22 — — CN 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 (6 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-11291622-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, a dyeing compound and a silicon oil KRT18, MKI67, DSG1 CA2 2718/4885THRB 4573/4885PTPN1 4423/4885
US-11331258-B2 Method for dyeing keratinous material, comprising the use of an organosilicon compound, an oligoalkylsiloxane and a dyeing compound KRT18, MKI67, PCNA CA2 1700/4885THRB 4768/4885PTPN1 4588/4885
US-12383480-B2 Dyeing method for keratin fibers comprising a direct azo-dye and an organic alkalizing agent, and kit-of-parts thereof KRT18, PRKCH, PRKCE CA2 268/4885THRB 1490/4885PTPN1 1116/4885
US-11382851-B2 Hair dye composition containing at least one organic silicon compound, a direct dye and a film forming hydrophobic polymer KRT18, DSG1, CUTA CA2 1242/4885THRB 2660/4885PTPN1 3981/4885
US-20250041181-A1 DYEING METHOD FOR KERATIN FIBERS COMPRISING A DIRECT AZO-DYE AND AN ORGANIC ALKALIZING AGENT, AND KIT-OF-PARTS THEREOF KRT18, PRKCH, PRKCE CA2 268/4885THRB 1490/4885PTPN1 1116/4885
US-20230225952-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF COXFA4L2, TYR, OAT CA2 1780/4885THRB 2787/4885PTPN1 2547/4885

“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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