SCHEMBL146865

SCHEMBL146865

O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)[O-])cc2c1O.O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)[O-])cc2c1O.[Na+].[Na+]

nearest known ligand 0.75

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
CA12 known ✓ O43570 5/20 0.50
CA1 known ✓ P00915 5/20 0.50
CA2 known ✓ P00918 5/20 0.50
CA4 known ✓ P22748 1/20 0.41
ALDH1A1 P00352 2/20 0.75
HPGD P15428 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
CA9 Q16790 6/20 0.50
GAA P10253 2/20 0.46
CASP6 P55212 2/20 0.46
NSD2 O96028 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSB P07858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.44

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
SCHEMBL29913044 1.00 ALDH1A1 (0.75) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL29374840 1.00 ALDH1A1 (0.75) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL7920628 1.00 ALDH1A1 (0.75) ALDH1A1HPGDTDP1CA9CA12
Lithium Ion SCHEMBL11527719 0.97 ALDH1A1 (0.75) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL7202147 0.88 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL341089 0.88 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL10337685 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL93200 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CA9CA12
SCHEMBL29376983 0.86 ALDH1A1 (1.00) ALDH1A1HPGDTDP1CA9CA12
Water SCHEMBL5050373 0.84 ALDH1A1 (0.97) ALDH1A1HPGDTDP1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP claimed
EP-1919439-A2 PROCESS FOR BLEACHING KERATIN FIBERS The Procter and Gamble Company (US) 2008-05-14 EP claimed
US-20070231283-A1 Process for bleaching keratin fibers PROCTER & GAMBLE COMPANY, THE 2007-10-04 US claimed
US-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 US claimed
WO-2007026327-A2 PROCESS FOR BLEACHING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1759684-A1 Process for bleaching keratin fibers Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20050257328-A1 Agent for simultaneously dying and bringhtening keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2005-11-24 US claimed
US-20040111810-A1 Hair dye CREATE CO. (JP) 2004-06-17 US claimed
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO claimed
US-20240350389-A1 METHOD FOR DYEING KERATINOUS MATERIAL, IN PARTICULAR HUMAN HAIR HENKEL AG & CO. KGAA (DE) 2024-10-24 US disclosed
CN-113677318-B Increasing the stability of agents for treating keratin materials 汉高股份有限及两合公司 2024-07-09 CN disclosed
US-12029808-B2 Kit and method for dyeing keratinous material by means of aminosilicone and a chromophoric compound HENKEL AG & CO. KGAA (DE) 2024-07-09 US disclosed
US-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI HENKEL AG & CO. KGAA (DE) 2024-06-27 US disclosed
EP-4065080-B1 IMPROVING THE PERFORMANCE OF PIGMENT-BASED DYES BY USING A PRETREAMENT AGENT HENKEL AG & CO KGAA (DE) 2024-06-19 EP disclosed
US-6171347-B1 REMOVAL OF HAIR COLOR TO BE WORN FOR ONLY A SHORT PERIOD OF TIME UNDER MILD, GENTLE CONDITIONS BY USING A COMBINATION OF A SUITABLE REDUCTONE, SUCH AS ASCORBIC ACID, AND/OR A THIOL AND/OR A SULFITE WELLA AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-4896723-A PHENOLIC RESIN CROSSLINKING MOBIL OIL CORPORATION (US) 1990-01-30 US disclosed
US-4859717-A Cross-linked polyvinyl alcohols and oil reservoir permeability control therewith MOBIL OIL CORPORATION (US) 1989-08-22 US disclosed
WO-1988009783-A1 POLYMERIC ULTRAVIOLET LIGHT ABSORBERS BIOPOLYMERS LIMITED (AU) 1988-12-15 WO 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 (3 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-20240207160-A1 PROCESS OF COLORING KERATINOUS MATERIAL COMPRISING THE USE OF AN ORGANOSILICON COMPOUND, AN EFFECT PIGMENT, AND A SEALING REAGENT VI KRT18, GP6, MSH6 CA12 1514/4885CA1 2028/4885CA2 2019/4885
US-12029808-B2 Kit and method for dyeing keratinous material by means of aminosilicone and a chromophoric compound MARK1, KRT18, KIT CA12 1352/4885CA1 1694/4885CA2 2713/4885
US-20240350389-A1 METHOD FOR DYEING KERATINOUS MATERIAL, IN PARTICULAR HUMAN HAIR KRT18, DSG1, SHH CA12 32/4885CA1 50/4885CA2 220/4885

“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.