SCHEMBL9618266

SCHEMBL9618266

Nc1ccc(/N=N/c2ccc(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
SCHEMBL2394481 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4293969-A None JP disclosed
US-20250221408-A1 COMPOSITION EARTH CORPORATION (JP) 2025-07-10 US disclosed
EP-3550030-B1 METHOD FOR MEASURING GLYCATION RATE OF HEMOGLOBIN TOYO BOSEKI (JP) 2025-01-01 EP disclosed
EP-4473837-A1 COMPOSITION Earth Corporation (JP) 2024-12-11 EP disclosed
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD ACENET INC. (JP) 2024-01-04 US disclosed
WO-2023190598-A1 COMPOSITION アース製薬株式会社 2023-10-05 WO disclosed
US-20230263710-A1 ORAL CARE AGENT OSAKA UNIVERSITY (JP) 2023-08-24 US disclosed
EP-4230042-A1 ANTIPATHOGENIC DRUG, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN PROCESSING DEVICE, METHOD FOR PRODUCING ANTIPATHOGENIC DRUG, ANTIBACTERIAL METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN PROCESSING METHOD Acenet Inc. (JP) 2023-08-23 EP disclosed
CN-116322332-A Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method 株式会社ACENET 2023-06-23 CN disclosed
US-20230181628-A1 EPITHELIAL CANCER THERAPEUTIC AGENT OSAKA UNIVERSITY (JP) 2023-06-15 US disclosed
CN-116157109-A Oral pharmaceutical preparation 国立大学法人大阪大学 2023-05-23 CN disclosed
EP-4147703-A1 EPITHELIAL CANCER THERAPEUTIC AGENT OSAKA UNIVERSITY (JP) 2023-03-15 EP disclosed
CN-114501996-A Chemical, method for producing chemical, and method for purifying water 株式会社ACENET 2022-05-13 CN disclosed
US-20200171118-A1 RADICAL GENERATING CATALYST, METHOD FOR PRODUCING RADICAL, METHOD FOR PRODUCING OXIDATION REACTION PRODUCT, DRUG, AND DRUG FOR USE IN AGRICULTURE AND LIVESTOCK INDUSTRY ACENET INC. (JP) 2020-06-04 US disclosed
EP-3626339-A1 RADICAL-GENERATING CATALYST, RADICAL PRODUCTION METHOD, OXIDATION REACTION PRODUCT PRODUCTION METHOD, CHEMICAL AGENT, AND CHEMICAL AGENT FOR AGRICULTURE AND LIVESTOCK Acenet Inc. (JP) 2020-03-25 EP disclosed
EP-3550030-A1 METHOD FOR MEASURING GLYCATION RATE OF HEMOGLOBIN TOYOBO CO., LTD. (JP) 2019-10-09 EP disclosed
CN-107814378-B Lignin functional modification graphene and preparation method thereof 福州大学 2019-09-13 CN disclosed
CN-107814378-A Lignin functional modification graphene and preparation method thereof 福州大学 2018-03-20 CN disclosed
JP-H04293969-A LIQUID COMPOSITION OF DIRECT DYE NIPPON KAYAKU CO LTD 1992-10-19 JP 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 (5 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-20230263710-A1 ORAL CARE AGENT TAS2R39, TAS2R40, TAS2R45 CA12 660/4885CA2 1770/4885CA1 2268/4885
US-20200171118-A1 RADICAL GENERATING CATALYST, METHOD FOR PRODUCING RADICAL, METHOD FOR PRODUCING OXIDATION REACTION PRODUCT, DRUG, AND DRUG FOR USE IN AGRICULTURE AND LIVESTOCK INDUSTRY PRDX2, PRDX1, PRDX5 CA12 2173/4885CA2 394/4885CA1 1287/4885
US-20230181628-A1 EPITHELIAL CANCER THERAPEUTIC AGENT EPCAM, EGFR, MUC1 CA12 11/4885CA2 78/4885CA1 83/4885
US-20240000084-A1 ANTIPATHOGENIC AGENT, ANTIBACTERIAL AGENT, ANTIVIRAL AGENT, PATHOGEN DISPOSAL DEVICE, ANTIPATHOGENIC AGENT PRODUCTION METHOD, ANTIBACTERIAL TREATMENT METHOD, VIRUS INACTIVATION METHOD, AND PATHOGEN DISPOSAL METHOD EIF2AK2, HAO2, ZC3HAV1 CA12 2256/4885CA2 2225/4885CA1 3911/4885
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.