SCHEMBL29366403

SCHEMBL29366403

CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.72

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 1/20 0.38
▸ APEX1 P27695 3/20 0.72
▸ ENPP2 Q13822 3/20 0.63
▸ PTPN1 P18031 4/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GRK2 P25098 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PLEC Q15149 1/20 0.45
▸ AMY1A P0DUB6 3/20 0.43
▸ SIRT1 Q96EB6 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ APP P05067 1/20 0.42
▸ DUSP5 Q16690 1/20 0.42
▸ SUMO2 P61956 1/20 0.41
▸ SUMO1 P63165 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL11584418 0.93 APEX1 (0.75) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11670702 0.93 APEX1 (0.75) APEX1ENPP2PTPN1USP2ATM
SCHEMBL12994564 0.87 ENPP2 (0.82) APEX1ENPP2MEN1KMT2AAMY1A
Ammonia Solution, Strong SCHEMBL21700410 0.86 ENPP2 (0.81) APEX1ENPP2MEN1KMT2AAMY1A
SCHEMBL11670477 0.84 APEX1 (1.00) APEX1ENPP2PTPN1USP2ATM
SCHEMBL29623460 0.84 APEX1 (1.00) APEX1ENPP2PTPN1USP2ATM
SCHEMBL11765358 0.84 ENPP2 (0.64) APEX1ENPP2PTPN1USP2ATM
SCHEMBL15113011 0.81 ENPP2 (0.68) APEX1ENPP2MEN1KMT2AAMY1A
SCHEMBL29378215 0.81 APEX1 (1.00) APEX1ENPP2PTPN1USP2ATM
SCHEMBL10891071 0.79 ENPP2 (0.85) APEX1ENPP2PRMT1SUMO2SUMO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230120665-A1 COMPOSITION AND METHOD FOR MEASURING THALLIUM INFLUX AND EFFLUX LIFE TECHNOLOGIES CORP (US) 2023-04-20 — — US claimed
CN-111977873-B Method for using photoactivated sepiolite Si-OH for adsorption and photodegradation of water-soluble organic pollutants 湖南工程学院 2023-04-07 — — CN claimed
US-20220291566-A1 COLOURED OR BLACK PARTICLES E INK CORPORATION (US) 2022-09-15 — — US claimed
EP-3980140-A2 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME FRS Group, LLC (US) 2022-04-13 — — EP claimed
EP-4547208-B1 PROCESS FOR REMOVING THE COLOUR FROM PREVIOUSLY DYED KERATINOUS HAIR FIBRES OREAL (FR) 2026-05-27 — — EP disclosed
CN-122094656-A Method for dyeing hair keratin fibres, comprising the step of washing the hair keratin fibres with a particular composition and subsequently applying to the hair keratin fibres a particular dyeing composition — 2026-05-26 — — CN disclosed
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound L'OREAL (FR) 2026-05-26 — — US disclosed
US-12629555-B2 Long-term fire retardant with magnesium sulfate and corrosion inhibitors and methods for making and using same PERIMETER SOLUTIONS, LP (US) 2026-05-19 — — US disclosed
CN-122029488-A Photosensitive coloring composition, cured product, partition wall, organic electroluminescent element, color filter, and image display device 三菱化学株式会社 2026-05-12 — — CN disclosed
EP-4731312-A1 SYSTEMS, APPARATUS, AND METHODS FOR DILUTION AND EFFECTIVE MIXING OF HIGH VISCOSITY LONG-TERM FIRE RETARDANT LIQUID CONCENTRATES Perimeter Solutions LP (US) 2026-04-29 — — EP disclosed
WO-2026039882-A1 METHODS FOR REDUCING COLOR FADING IN COLOR-TREATED HAIR L'OREAL (FR) 2026-02-26 — — WO disclosed
EP-4692146-A1 LEVELING AGENT, RESIST COMPOSITION, AND POLARIZING PLATE DIC Corporation (JP) 2026-02-11 — — EP disclosed
CN-114270263-A Photosensitive coloring composition, cured product, image display device, and pigment dispersion liquid for image display device 三菱化学株式会社 2022-04-01 — — CN disclosed
WO-2022059492-A1 SILICONE CHAIN-CONTAINING POLYMER AND COATING COMPOSITION CONTAINING SAID POLYMER DIC株式会社 2022-03-24 — — WO disclosed
CN-114193764-A Material for three-dimensional molding, three-dimensional object, and printing method therefor 珠海赛纳三维科技有限公司 2022-03-18 — — CN disclosed
US-20220080242-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-03-17 — — US disclosed
WO-2022050062-A1 POLYMER, COATING COMPOSITION, RESIST COMPOSITION, AND ARTICLE DIC株式会社 2022-03-10 — — WO disclosed
US-20220072355-A1 LONG-TERM FIRE RETARDANT WITH CORROSION INHIBITORS AND METHODS FOR MAKING AND USING SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2022-03-10 — — US disclosed
CN-114032215-A Hybridoma cell strain secreting red 2G monoclonal antibody and application thereof 江南大学 2022-02-11 — — CN disclosed
CN-113993922-A Photosensitive colored resin composition, cured product, partition wall, and image display device 三菱化学株式会社 2022-01-28 — — CN 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 (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-12629555-B2 Long-term fire retardant with magnesium sulfate and corrosion inhibitors and methods for making and using same SLC6A12, SLC9A2, SLC11A2 THRB 1787/4885APEX1 2662/4885ENPP2 4777/4885
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound KRT18, CYC1, CYBA THRB 1477/4885APEX1 989/4885ENPP2 4694/4885

“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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