SCHEMBL287038

SCHEMBL287038

O=S(=O)([O-])c1cc(O)c2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+]

nearest known ligand 0.66

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 0.51
▸ POLB P06746 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ GRK2 P25098 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ PLEC Q15149 1/20 0.66
▸ APP P05067 1/20 0.66
▸ DUSP5 Q16690 1/20 0.52
▸ PTPN1 P18031 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C9 P11712 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DNASE1L3 Q13609 1/20 0.50
▸ PRMT1 Q99873 2/20 0.49
▸ ENPP2 Q13822 3/20 0.48
▸ APEX1 P27695 2/20 0.47
▸ PHLPP2 Q6ZVD8 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
SCHEMBL5859446 1.00 POLB (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL29538678 1.00 POLB (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL29396086 0.94 MEN1 (0.70) POLBMEN1GRK2KMT2APLEC
SCHEMBL7558820 0.94 MEN1 (0.70) POLBMEN1GRK2KMT2APLEC
SCHEMBL11791648 0.91 MEN1 (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL11791659 0.91 MEN1 (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL29355238 0.89 MEN1 (0.65) POLBMEN1GRK2KMT2APLEC
SCHEMBL4806483 0.88 USP2 (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL29354476 0.88 USP2 (0.66) POLBMEN1GRK2KMT2APLEC
SCHEMBL186094 0.88 USP2 (0.66) POLBMEN1GRK2KMT2APLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109439016-B Red sun-proof acid dye and preparation method thereof 绍兴金美珂化工有限公司 2020-04-07 — — CN claimed
US-10384203-B2 Kits and devices for detecting analytes FIRST LIGHT BIOSCIENCES, INC. (US) 2019-08-20 — — US claimed
US-20170315031-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS BUDAK MEHMET (TR) 2017-11-02 — — US claimed
EP-3209292-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS Budak, Mehmet (TR) 2017-08-30 — — EP claimed
EP-1463781-B1 USE OF A DYESTUFF FOR INK JET PRINTING RECORDING MATERIALS CLARIANT FINANCE BVI LTD (VG) 2008-04-30 — — EP claimed
US-7153332-B2 Use of a dyestuff for ink jet printing recording materials CLARIANT FINANCE (BVI) LIMITED (VG) 2006-12-26 — — US claimed
US-7067324-B2 Photon reducing agents for fluorescence assays INVITROGEN CORPORATION (US) 2006-06-27 — — US claimed
US-6998185-B2 Dye-based fuel indicator system for fuel cells HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-02-14 — — US claimed
US-20050120495-A1 Use of a dyestuff for ink jet printing recording materials CLARIANT FINANCE (BVI) LIMITED (VG) 2005-06-09 — — US claimed
US-6828152-B2 Reagentless method for determining the concentration of one or more analytes in blood, synovial fluid, semen, feces and cerebrospinal fluid via spectrophotometry; hemolysis SPECTROMEDICAL INC. (CA) 2004-12-07 — — US 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-5094545-A Solid solution with nucleating agent and indicator dye PYMA CORPORATION (US) 1992-03-10 — — US claimed
US-4362645-A Temperature indicating compositions of matter AKZONA, INC. (US) 1982-12-07 — — US claimed
US-4345470-A All plastic disposable thermometer AKZONA INCORPORATED (US) 1982-08-24 — — US claimed
US-4299727-A Disposable reversible thermometer AKZONA INCORPORATED (US) 1981-11-10 — — US claimed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 — — US 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-20170315031-A1 TISSUE AND CELL STAIN FORMULA WITH A NOVEL MOLECULE OBTAINED FROM PAPAVER RHOEAS MYADM, PRSS8, MKI67 THRB 3702/4885POLB 927/4885MEN1 3419/4885

“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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