SCHEMBL2394481

SCHEMBL2394481

Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1.[Na+]

nearest known ligand 0.68

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 6/20 0.68
CA2 known ✓ P00918 6/20 0.68
CA1 known ✓ P00915 2/20 0.46
CA4 known ✓ P22748 1/20 0.46
THRB known ✓ P10828 1/20 0.46
PTGS1 known ✓ P23219 1/20 0.43
PTGS2 known ✓ P35354 1/20 0.43
CA9 Q16790 6/20 0.68
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
PLCG1 P19174 1/20 0.50
SLC7A11 Q9UPY5 1/20 0.49

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
SCHEMBL9618266 1.00 CA12 (0.68) CA12CA2CA9MAPTRAB9A
SCHEMBL646075 0.87 TSHR (0.62) CA12CA2CA9MAPTMEN1
SCHEMBL28999750 0.87 TSHR (0.62) CA12CA2CA9MAPTMEN1
SCHEMBL7766922 0.87 TSHR (0.62) CA12CA2CA9MAPTMEN1
Potassium Ion SCHEMBL28275691 0.84 TSHR (0.59) CA12CA2CA9MAPTMEN1
SCHEMBL30460591 0.84 TSHR (0.59) CA12CA2CA9MAPTMEN1
Water SCHEMBL2045997 0.84 TSHR (0.59) CA12CA2CA9MAPTMEN1
Water SCHEMBL4384703 0.84 TSHR (0.59) CA12CA2CA9MAPTMEN1
SCHEMBL11323350 0.83 CA12 (0.73) CA12CA2CA9MAPTRAB9A
Formaldehyde SCHEMBL9472914 0.82 TSHR (0.56) CA12CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383170-A1 FLEXIBLE AND SMART WOOD WITH RESPONSIVE FUNCTION, PREPARATION METHOD THEREOF AND ACTUATOR NANJING FORESTRY UNIVERSITY (CN) 2024-11-21 US claimed
CN-115554267-A Pectin-based ultraviolet light response type nano carrier and preparation method thereof 南京医科大学康达学院 2023-01-03 CN claimed
CN-111187408-A Method for synthesizing polyamino acid with photoresponse characteristic 金陵科技学院 2020-05-22 CN claimed
EP-1515144-B2 METHOD OF ASSAY WITH SULFONIC ACID COMPOUND AND NITRO COMPOUND ARKRAY INC (JP) 2013-04-24 EP claimed
US-8021855-B2 Method of decomposing protein with sulfonic acid compound ARKRAY INC. (JP) 2011-09-20 US claimed
EP-1515144-B1 METHOD OF ASSAY WITH SULFONIC ACID COMPOUND AND NITRO COMPOUND ARKRAY INC (JP) 2009-10-14 EP claimed
US-7354732-B2 Method of assay with sulfonic acid compound and nitro compound ARKRAY, INC. (JP) 2008-04-08 US claimed
US-20050260735-A1 Method of decomposing protein with sulfonic acid compound ARKRAY, INC. (JP) 2005-11-24 US claimed
US-20050221415-A1 Method of assay with sulfonic acid compound and nitro compound ARKRAY, INC. (JP) 2005-10-06 US claimed
EP-1522593-A1 METHOD OF DECOMPOSING PROTEIN WITH SULFONIC ACID COMPOUND ARKRAY, Inc. (JP) 2005-04-13 EP claimed
EP-1515144-A1 METHOD OF ASSAY WITH SULFONIC ACID COMPOUND AND NITRO COMPOUND ARKRAY, Inc. (JP) 2005-03-16 EP claimed
JP-4293969-A None JP disclosed
US-20250221408-A1 COMPOSITION EARTH CORPORATION (JP) 2025-07-10 US disclosed
CN-113993854-B Luminescent compound or salt thereof, and polarized light emitting element, polarized light emitting panel and display device using the same 日本化药株式会社 2025-04-15 CN disclosed
CN-119677819-A Azo compound or salt thereof, and polarizing film, polarizing plate and liquid crystal display device each containing the same 日本化药株式会社 2025-03-21 CN disclosed
WO-1999045389-A2 LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY ABBOTT LAB (US) 1999-09-10 WO disclosed
WO-1999045379-A2 LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY ABBOTT LABORATORIES (US) 1999-09-10 WO disclosed
JP-H04293969-A LIQUID COMPOSITION OF DIRECT DYE NIPPON KAYAKU CO LTD 1992-10-19 JP disclosed
US-4227879-A ISOLATING THE DIAZONIUM SALT OF P-(P-AMINOPHENYL)AZO BENZENESULFONIC ACID AND COUPLING WITH 6-AMINO-1-NAPHTHOL-3-SULFONIC ACID AMERICAN COLOR & CHEMICAL CORPORATION (US) 1980-10-14 US disclosed
US-4082742-A PROCESS FOR PREPARING AN AQUEOUS DISAZO DYE CONCENTRATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-04-04 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 (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-20250221408-A1 COMPOSITION GGPS1, PGGT1B, HBG2 CA12 2951/4885CA2 2673/4885CA1 2324/4885

“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.