SCHEMBL590957

SCHEMBL590957

O=[N+]([O-])c1ccc(/N=N/c2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[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
▸ THRB known ✓ P10828 2/20 0.48
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ GRK2 P25098 1/20 0.61
▸ PLEC Q15149 1/20 0.61
▸ APEX1 P27695 2/20 0.57
▸ ENPP2 Q13822 3/20 0.57
▸ APP P05067 1/20 0.50
▸ PTPN1 P18031 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRMT1 Q99873 1/20 0.46
▸ DUSP5 Q16690 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 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
SCHEMBL29833871 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL5859497 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29425680 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL15153906 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29396086 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL7558820 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29702572 0.89 USP2 (0.62) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791648 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791659 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL5859446 0.86 POLB (0.66) MEN1KMT2APOLBGRK2PLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106198508-B A kind of method for detecting the pesticide containing heavy metal classes 中国科学院大连化学物理研究所 2018-06-26 — — CN claimed
CN-108130076-A A kind of dry combustion method preparation method of transient metal doped carbon fluorescence quantum 中国科学院大连化学物理研究所 2018-06-08 — — CN claimed
CN-108132244-A Cu in a kind of drinking water2+、Fe2+With detection method while free chlorine residual 中国科学院大连化学物理研究所 2018-06-08 — — CN claimed
CN-108132246-A A kind of method that copper ion in water is quickly detected using photochemistry colorimetric method 中国科学院大连化学物理研究所 2018-06-08 — — CN claimed
EP-2785866-B1 METHOD FOR THE DETECTION OF NUCLEIC ACID SYNTHESIS AND/OR AMPLIFICATION GENEFAST S R L (IT) 2017-10-18 — — EP claimed
CN-106198508-A A kind of high sensitivity quickly detects the method containing heavy metal class pesticide 中国科学院大连化学物理研究所 2016-12-07 — — CN claimed
CN-106147760-A A kind of preparation method of transient metal doped carbon fluorescence quantum 中国科学院大连化学物理研究所 2016-11-23 — — CN claimed
US-20140329232-A1 METHOD FOR THE DETECTION OF NUCLEIC ACID SYNTHESIS AND/OR AMPLIFICATION GENEFAST S.R.L. (IT) 2014-11-06 — — US claimed
EP-2785866-A1 METHOD FOR THE DETECTION OF NUCLEIC ACID SYNTHESIS AND/OR AMPLIFICATION Genefast S.r.l. (IT) 2014-10-08 — — EP claimed
WO-2013080154-A1 METHOD FOR THE DETECTION OF NUCLEIC ACID SYNTHESIS AND/OR AMPLIFICATION GENEFAST S.R.L. (IT) 2013-06-06 — — WO claimed
EP-1465671-A1 HYDROGEN PEROXIDE AND PERACETIC ACID INDICATORS AND METHODS USING THE SAME 3M Innovative Properties Company (US) 2004-10-13 — — EP claimed
US-20040152760-A1 Polyhydroxylated aromatic compounds for the treatment of amyloidosis and alpha-synuclein fibril diseases PROTAMED, INC. 2004-08-05 — — US claimed
JP-2003532634-A — — 2003-11-05 — — JP claimed
US-20030194346-A1 Hydrogen peroxide and peracetic acid indicators and methods 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 — — US claimed
WO-2003057262-A1 HYDROGEN PEROXIDE AND PERACETIC ACID INDICATORS AND METHODS USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-07-17 — — WO claimed
WO-2003016615-A1 SINGLE BATH PROCESS FOR BLEACHING AND DYEING TEXTILES NOVOZYMES NORTH AMERICA, INC. (US) 2003-02-27 — — WO claimed
EP-1244435-A2 POLYHYDROXYLATED AROMATIC COMPOUNDS FOR THE TREATMENT OF AMYLOIDOSIS AND $g(a)-SYNUCLEIN FIBRIL DISEASES Proteotech Inc. (US) 2002-10-02 — — EP claimed
US-20010047032-A1 Polyhydroxylated aromatic compounds for the treatment of amyloidosis and alpha-synuclein fibril diseases PROTAMED, INC. 2001-11-29 — — US claimed
WO-2001049281-A2 POLYHYDROXYLATED AROMATIC COMPOUNDS FOR THE TREATMENT OF AMYLOIDOSIS AND α-SYNUCLEIN FIBRIL DISEASES PROTEOTECH, INC. (US) 2001-07-12 — — WO claimed
US-5914806-A Stable electrophoretic particles for displays INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-06-22 — — 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 (2 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-20010047032-A1 Polyhydroxylated aromatic compounds for the treatment of amyloidosis and alpha-synuclein fibril diseases SNCA, PARK7, HTT THRB 3240/4885MEN1 4522/4885KMT2A 1935/4885
US-20040152760-A1 Polyhydroxylated aromatic compounds for the treatment of amyloidosis and alpha-synuclein fibril diseases SNCA, PARK7, HTT THRB 3240/4885MEN1 4522/4885KMT2A 1935/4885

“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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