SCHEMBL428681

SCHEMBL428681

O=C([O-])c1cc(/N=N/c2ccc(S(=O)(=O)[O-])cc2)ccc1O.[Na+].[Na+]

nearest known ligand 0.61

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
PTGS2 known ✓ P35354 4/20 0.58
PTGS1 known ✓ P23219 3/20 0.58
THRB known ✓ P10828 2/20 0.53
PDE4A known ✓ P27815 1/20 0.51
CA2 known ✓ P00918 2/20 0.44
CA1 known ✓ P00915 1/20 0.44
CA12 known ✓ O43570 1/20 0.42
PLCG1 P19174 1/20 0.61
PHLPP2 Q6ZVD8 5/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP2C9 P11712 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
BLVRB P30043 2/20 0.51
KDR P35968 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
APP P05067 2/20 0.50
RECQL P46063 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
SCHEMBL135508 1.00 PLCG1 (0.61) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
SCHEMBL27727543 0.88 PHLPP2 (0.60) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
Olsalazine SCHEMBL29767 0.87 MEN1 (0.66) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
Olsalazine SCHEMBL3476110 0.87 MEN1 (0.66) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
Olsalazine SCHEMBL29454399 0.87 MEN1 (0.66) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
SCHEMBL17866569 0.84 ALDH1A1 (0.48) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
Chrysamine G SCHEMBL15818024 0.84 TDP1 (0.70) PLCG1PHLPP2PTGS2ALDH1A1PTGS1
SCHEMBL29950230 0.83 MEN1 (0.61) PHLPP2PTGS2ALDH1A1PTGS1CYP2C9
SCHEMBL27985065 0.83 MEN1 (0.61) PHLPP2PTGS2ALDH1A1PTGS1CYP2C9
SCHEMBL10784910 0.82 MEN1 (0.59) PLCG1PHLPP2PTGS2ALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743523-B1 Dye-based reference material, preparation and use thereof BAYER AG (US) 2002-08-28 EP claimed
US-5891730-A HEMOGLOBIN DIAGNOSIS CHIRON DIAGNOSTICS CORPORATION (US) 1999-04-06 US claimed
US-5637505-A CALIBRATING OR QUALIFYING INSTRUMENT FOR DIAGNOSIS SPECTROSCOPIC CHIRON DIAGNOSTICS CORPORATION (US) 1997-06-10 US claimed
EP-0743523-A2 Dye-based reference material, preparation and use thereof Ciba Corning Diagnostics Corp. (US) 1996-11-20 EP claimed
EP-0618949-A1 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1994-10-12 EP claimed
EP-0618949-A4 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS. LORD CORP (US) 1994-07-07 EP claimed
US-5306438-A Dielectric hydrophobic liquid carrier fluid with anionic dye particles; quick response LORD CORPORATION (US) 1994-04-26 US claimed
WO-1993019143-A1 COLORANT-CONTAINING ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-09-30 WO claimed
WO-1993012192-A1 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-06-24 WO claimed
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels THE CLEVELAND CLINIC FOUNDATION (US) 2026-03-17 US disclosed
WO-2024243289-A2 GUT MICROBE DERIVED AROMATIC AMINO ACID METABOLITES FOR DETECTION AND TREATMENT OF DISEASE THE CLEVELAND CLINIC FOUNDATION (US) 2024-11-28 WO disclosed
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2024-05-23 US disclosed
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION 2024-05-02 US disclosed
US-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION AAT BIOQUEST, INC. 2024-03-07 US disclosed
US-5306438-A Dielectric hydrophobic liquid carrier fluid with anionic dye particles; quick response LORD CORPORATION (US) 1994-04-26 US disclosed
US-5302639-A Mixtures of nitrogen containing organic compound, anionic compound and a vinylpyrrolidone polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-04-12 US disclosed
WO-1993019143-A1 COLORANT-CONTAINING ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-09-30 WO disclosed
WO-1993012192-A1 IONIC DYE-BASED ELECTRORHEOLOGICAL MATERIALS LORD CORPORATION (US) 1993-06-24 WO disclosed
CN-1061977-A The agent of polymkeric substance good antiscale property is used to prevent the aggregation container of polymer scale deposition, and uses this container to prepare the method for polymkeric substance SHINETSU CHEMICAL CO (JP) 1992-06-17 CN disclosed
US-5122432-A Containing visible light absorber THE MEAD CORPORATION (US) 1992-06-16 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 (4 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-20240077489-A1 STYRYL PHENOLS, DERIVATIVES AND THEIR USE IN METHODS OF ANALYTE DETECTION STUB1, SPR, HLCS PTGS2 3828/4885PTGS1 3133/4885THRB 309/4885
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY SLC5A2, SLC5A1, MAT1A PTGS2 1265/4885PTGS1 1229/4885THRB 328/4885
US-12576055-B2 Disease detection and treatment based on trimethyl-lysine levels BHMT, BHMT2, EHMT2 PTGS2 4216/4885PTGS1 4289/4885THRB 52/4885
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD PTGS2 726/4885PTGS1 373/4885THRB 1156/4885

“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.