SCHEMBL29358440

SCHEMBL29358440

Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])cc(N)c6c5O)cc4)cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.74

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 0.55
▸ USP2 O75604 1/20 0.74
▸ PTPN1 P18031 1/20 0.74
▸ ATM Q13315 1/20 0.74
▸ L3MBTL1 Q9Y468 1/20 0.74
▸ ENPP2 Q13822 7/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GRK2 P25098 1/20 0.53
▸ PLEC Q15149 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PHLPP2 Q6ZVD8 3/20 0.52
▸ APP P05067 2/20 0.50
▸ APEX1 P27695 2/20 0.46
▸ SLC7A11 Q9UPY5 1/20 0.46
▸ SUMO2 P61956 1/20 0.44
▸ SUMO1 P63165 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP2 Q9HC62 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
SCHEMBL6846208 1.00 USP2 (0.74) USP2PTPN1ATML3MBTL1THRB
SCHEMBL186094 0.92 USP2 (0.66) USP2PTPN1ATML3MBTL1THRB
SCHEMBL4806483 0.92 USP2 (0.66) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29354476 0.92 USP2 (0.66) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29663790 0.91 USP2 (0.63) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29694157 0.90 USP2 (0.63) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29702572 0.88 USP2 (0.62) USP2PTPN1ATML3MBTL1THRB
SCHEMBL28747696 0.86 PHLPP2 (0.61) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29702517 0.86 PHLPP2 (0.61) USP2PTPN1ATML3MBTL1THRB
SCHEMBL29959612 0.86 PTPN1 (0.70) USP2PTPN1ATML3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112709082-B Sodium alginate/waterborne polyurethane composite emulsion paste for direct dye printing of viscose fabric and preparation method and application thereof 武汉纺织大学 2023-03-21 — — CN claimed
EP-4748578-A1 INK CARTRIDGE BROTHER KOGYO KABUSHIKI KAISHA (JP) 2026-05-27 — — EP disclosed
EP-4748577-A1 STORAGE BAG BROTHER KOGYO KABUSHIKI KAISHA (JP) 2026-05-27 — — EP disclosed
US-12577417-B2 Active energy ray-curable aqueous ink, recording method and recording apparatus CANON KABUSHIKI KAISHA (JP) 2026-03-17 — — US disclosed
US-12552745-B2 Compound for optical materials, curable composition, cured body, and optical article TOKUYAMA CORPORATION (JP) 2026-02-17 — — US disclosed
US-12528945-B2 Dye ink composition, cyan dye ink, dye ink for ink jet recording, ink jet recording method, and aqueous dye solution FUJIFILM CORPORATION (JP) 2026-01-20 — — US disclosed
US-12480010-B2 Aqueous inkjet ink, aqueous inkjet ink set, and inkjet recording method CANON KABUSHIKI KAISHA (JP) 2025-11-25 — — US disclosed
US-20250355282-A1 LAYERED BODY, OPTICAL ARTICLE, LENS, AND SPECTACLES TOKUYAMA CORPORATION (JP) 2025-11-20 — — US disclosed
US-20250290249-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-18 — — US disclosed
EP-4617076-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-17 — — EP disclosed
CN-115386265-A Active energy ray-curable liquid composition, recording method, and recording apparatus 佳能株式会社 2022-11-25 — — CN disclosed
EP-4019255-A1 DYE INK COMPOSITION, CYAN DYE INK, DYE INK FOR INKJET PRINTING, INKJET PRINTING METHOD, AND DYE AQUEOUS SOLUTION FUJIFILM Corporation (JP) 2022-06-29 — — EP disclosed
US-20220169877-A1 INK, METHOD FOR PRODUCING INK, AND INKJET SYSTEM RICOH COMPANY, LTD. (JP) 2022-06-02 — — US disclosed
US-20220169859-A1 DYE INK COMPOSITION, CYAN DYE INK, DYE INK FOR INK JET RECORDING, INK JET RECORDING METHOD, AND AQUEOUS DYE SOLUTION FUJIFILM CORPORATION (JP) 2022-06-02 — — US disclosed
CN-112500937-B Odor-removing fragrance-retaining agent and preparation method and application thereof 濮阳宏业环保技术研究院有限公司 2022-04-22 — — CN disclosed
CN-114364755-A Dye ink composition, cyan dye ink, dye ink for inkjet recording, inkjet recording method, and dye aqueous solution 富士胶片株式会社 2022-04-15 — — CN disclosed
US-20220112385-A1 AQUEOUS INKJET INK, AQUEOUS INKJET INK SET, AND INKJET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2022-04-14 — — US disclosed
US-20220081581-A1 DYE INK COMPOSITION, DYE INK FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2022-03-17 — — US disclosed
CN-111448493-B Colorless polarizing element, and colorless polarizing plate and display device using the same 日本化药株式会社 2022-03-04 — — CN disclosed
EP-3943556-A1 DYE INK COMPOSITION, DYE INK FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM Corporation (JP) 2022-01-26 — — EP 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 (3 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-12552745-B2 Compound for optical materials, curable composition, cured body, and optical article C5, SCO2, ZYX THRB 2158/4885USP2 830/4885PTPN1 3567/4885
US-12528945-B2 Dye ink composition, cyan dye ink, dye ink for ink jet recording, ink jet recording method, and aqueous dye solution IK, GNAI1, WNT1 THRB 4273/4885USP2 2387/4885PTPN1 163/4885
US-12577417-B2 Active energy ray-curable aqueous ink, recording method and recording apparatus NAP1L1, ASH2L, DOT1L THRB 3804/4885USP2 949/4885PTPN1 1853/4885

“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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