SCHEMBL29402157

SCHEMBL29402157

COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.79

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 4/20 0.56
▸ PTPN1 P18031 4/20 0.79
▸ USP2 O75604 2/20 0.79
▸ ATM Q13315 1/20 0.79
▸ L3MBTL1 Q9Y468 1/20 0.79
▸ ENPP2 Q13822 4/20 0.77
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HTT P42858 1/20 0.58
▸ APEX1 P27695 4/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56

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
SCHEMBL20496488 1.00 PTPN1 (0.79) PTPN1USP2ATML3MBTL1ENPP2
SCHEMBL29601587 1.00 PTPN1 (0.79) PTPN1USP2ATML3MBTL1ENPP2
SCHEMBL9222420 0.99 PTPN1 (0.77) PTPN1USP2ATML3MBTL1ENPP2
SCHEMBL29637814 0.90 MEN1 (0.64) PTPN1USP2ATML3MBTL1ENPP2
Trypan Blue Free Acid SCHEMBL31686853 0.88 PTPN1 (1.00) PTPN1USP2ATML3MBTL1ENPP2
Trypan Blue Free Acid SCHEMBL29350476 0.88 PTPN1 (1.00) PTPN1USP2ATML3MBTL1ENPP2
Trypan Blue Free Acid SCHEMBL9724 0.88 PTPN1 (1.00) PTPN1USP2ATML3MBTL1ENPP2
Trypan Blue Free Acid SCHEMBL29371631 0.88 PTPN1 (1.00) PTPN1USP2ATML3MBTL1ENPP2
SCHEMBL16391031 0.87 ENPP2 (1.00) PTPN1USP2ATML3MBTL1ENPP2
SCHEMBL31497279 0.87 ENPP2 (1.00) PTPN1USP2ATML3MBTL1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4204503-B1 PEELABLE WRITING INK COMPOSITION WITH COLOR-CHANGING FOR WRITING POROUS SUBSTRATES SOCIéTé BIC (FR) 2024-09-25 — — EP claimed
CN-114808488-B Organically modified clay paste for direct dye printing of cotton fabric, and preparation method and application thereof 武汉纺织大学 2024-08-02 — — CN claimed
EP-3889226-B1 PEELABLE INK COMPOSITION WITH COLOR-CHANGING FOR POROUS SUBSTRATES SOCIéTé BIC (FR) 2022-11-30 — — EP claimed
CN-114808488-A Organic modified clay paste for direct dye printing of cotton fabrics and preparation method and application thereof 武汉纺织大学 2022-07-29 — — CN claimed
EP-4743828-A1 PHOTOCURABLE AS WELL AS THERMALLY CURABLE COMPOSITIONS SUITABLE FOR LOW TEMPERATURE CURING BASF SE (DE) 2026-05-20 — — EP disclosed
US-12617960-B2 Washable ink composition SOCIéTé BIC (FR) 2026-05-05 — — US disclosed
US-12617959-B2 Peelable ink composition for non-porous substrates SOCIéTé BIC (FR) 2026-05-05 — — US disclosed
EP-3434764-B1 FABRIC AND HOME CARE PRODUCTS PROCTER & GAMBLE (US) 2026-04-08 — — EP disclosed
US-12570859-B2 Primer, printing set, printing method, and printing apparatus RICOH COMPANY, LTD. (JP) 2026-03-10 — — US disclosed
US-20260061771-A1 MULTI-CORE WRITING IMPLEMENT PILOT CORPORATION KK (JP) 2026-03-05 — — US disclosed
US-20260055285-A1 PLASMONIC INKS WITH VIVID COLORS SOCIéTé BIC (FR) 2026-02-26 — — US disclosed
US-12552745-B2 Compound for optical materials, curable composition, cured body, and optical article TOKUYAMA CORPORATION (JP) 2026-02-17 — — US disclosed
EP-3988622-A1 PEELABLE INK COMPOSITION FOR POROUS SUBSTRATES Société BIC (FR) 2022-04-27 — — EP disclosed
US-20220121113-A1 OXIME ESTER PHOTOINITIATORS HAVING A SPECIAL AROYL CHROMOPHORE BASF SE (DE) 2022-04-21 — — US disclosed
EP-3981847-A1 WASHABLE INK COMPOSITION Société BIC (FR) 2022-04-13 — — EP disclosed
EP-3981848-A1 WASHABLE INK COMPOSITION Société BIC (FR) 2022-04-13 — — EP disclosed
US-20220090993-A1 STABILIZED TWO-PART HEMATOXYLIN SOLUTION UTILIZING pH ADJUSTMENT VENTANA MEDICAL SYSTEMS, INC. 2022-03-24 — — US disclosed
US-20220063323-A1 WRITING INSTRUMENT SOCIéTé BIC (FR) 2022-03-03 — — US disclosed
EP-3960822-A1 WRITING INSTRUMENTS Société BIC (FR) 2022-03-02 — — EP disclosed
EP-3950852-A1 AQUEOUS INK COMPOSITION FOR WRITING INSTRUMENTS MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2022-02-09 — — 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 (6 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-12617960-B2 Washable ink composition WASHC5, PGD, FTO THRB 4694/4885PTPN1 277/4885USP2 818/4885
US-12552745-B2 Compound for optical materials, curable composition, cured body, and optical article C5, SCO2, ZYX THRB 2158/4885PTPN1 3567/4885USP2 830/4885
US-12570859-B2 Primer, printing set, printing method, and printing apparatus MED1, SETDB1, MED25 THRB 4470/4885PTPN1 1819/4885USP2 3867/4885
US-20260055285-A1 PLASMONIC INKS WITH VIVID COLORS MKI67, WNT3, WDR3 THRB 3651/4885PTPN1 791/4885USP2 632/4885
US-12617959-B2 Peelable ink composition for non-porous substrates FLNB, NUCB2, DYRK1B THRB 2257/4885PTPN1 304/4885USP2 1576/4885
US-20260061771-A1 MULTI-CORE WRITING IMPLEMENT TYR, PIK3C3, PRKDC THRB 2113/4885PTPN1 472/4885USP2 43/4885

“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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