SCHEMBL29575012

SCHEMBL29575012

NC(=O)Nc1cc(Nc2nc(N)nc(Cl)n2)ccc1N=Nc1cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.42

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
▸ P2RY4 known ✓ P51582 5/20 0.40
▸ THRB known ✓ P10828 1/20 0.40
▸ P2RY2 known ✓ P41231 6/20 0.39
▸ P2RY12 known ✓ Q9H244 6/20 0.39
▸ P2RY6 known ✓ Q15077 3/20 0.39
▸ P2RY1 known ✓ P47900 2/20 0.36
▸ CA12 known ✓ O43570 6/20 0.36
▸ CA1 known ✓ P00915 6/20 0.36
▸ CA2 known ✓ P00918 6/20 0.36
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT1 Q99873 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL3655409 1.00 CARM1 (0.42) CARM1PRMT1P2RY4MEN1USP2
SCHEMBL29637596 0.88 FUT8 (0.46) CARM1PRMT1MEN1USP2THRB
SCHEMBL4167795 0.88 FUT8 (0.46) CARM1PRMT1MEN1USP2THRB
SCHEMBL3653222 0.88 FUT8 (0.46) CARM1PRMT1MEN1USP2THRB
SCHEMBL12954926 0.85 FUT8 (0.43) CARM1PRMT1MEN1USP2THRB
SCHEMBL29386110 0.83 P2RY12 (0.65) P2RY4MEN1USP2LMNATP53
SCHEMBL28606272 0.83 P2RY2 (0.40) CARM1PRMT1P2RY4MEN1USP2
SCHEMBL20314643 0.83 FUT8 (0.43) P2RY4MEN1USP2THRBAPEX1
SCHEMBL9270771 0.82 FUT8 (0.48) CARM1PRMT1P2RY4MEN1USP2
SCHEMBL9740928 0.82 FUT8 (0.48) CARM1PRMT1P2RY4MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534852-B2 Ink composition for ink jet textile printing and recording method SEIKO EPSON CORPORATION (JP) 2026-01-27 — — US claimed
CN-115298271-A Ink for ink-jet textile printing and ink-jet textile printing method 富士胶片株式会社 2022-11-04 — — CN claimed
US-20220205175-A1 Ink Composition For Ink Jet Textile Printing And Recording Method SEIKO EPSON CORPORATION (JP) 2022-06-30 — — US claimed
CN-110157242-B Printing inkjet ink composition set and recording method 精工爱普生株式会社 2022-04-29 — — CN claimed
US-11292930-B2 Textile printing ink jet ink composition set and recording method SEIKO EPSON CORPORATION 2022-04-05 — — US claimed
US-12534852-B2 Ink composition for ink jet textile printing and recording method SEIKO EPSON CORPORATION (JP) 2026-01-27 — — US disclosed
US-12359081-B2 Ink, method for producing ink, and inkjet system RICOH COMPANY, LTD. (JP) 2025-07-15 — — US disclosed
US-12286749-B2 Printing of fiber blends, woven and non-woven or knit fabric ARCHROMA IP GMBH (CH) 2025-04-29 — — US disclosed
EP-3617284-B1 INK JET PRINTING PENETRANT, INK JET PRINTING INK SET, AND INK JET PRINTING METHOD SEIKO EPSON CORP (JP) 2025-02-19 — — EP disclosed
CN-117024989-B Reactive dye composition and use thereof 台湾永光化学工业股份有限公司 2024-11-22 — — CN disclosed
EP-4306600-A1 REACTIVE DYE COMPOSITION AND APPLICATION THEREOF Everlight Chemical Industrial Corporation (TW) 2024-01-17 — — EP disclosed
US-11827797-B2 Ink jet ink for textile printing, ink set, and textile printing method SEIKO EPSON CORPORATION 2023-11-28 — — US disclosed
CN-116368274-A Printing of fiber mixtures, woven and non-woven or knitted fabrics 昂高知识产权有限公司 2023-06-30 — — CN disclosed
CN-110863378-B Penetrating fluid for inkjet printing, ink set for inkjet printing, and inkjet printing method 精工爱普生株式会社 2023-06-16 — — CN disclosed
CN-115298271-A Ink for ink-jet textile printing and ink-jet textile printing method 富士胶片株式会社 2022-11-04 — — CN disclosed
US-20220205175-A1 Ink Composition For Ink Jet Textile Printing And Recording Method SEIKO EPSON CORPORATION (JP) 2022-06-30 — — US disclosed
CN-114574036-A Ink, method for manufacturing ink, and inkjet system 株式会社理光 2022-06-03 — — CN disclosed
US-20220169877-A1 INK, METHOD FOR PRODUCING INK, AND INKJET SYSTEM RICOH COMPANY, LTD. (JP) 2022-06-02 — — US disclosed
CN-110157242-B Printing inkjet ink composition set and recording method 精工爱普生株式会社 2022-04-29 — — CN disclosed
US-11292930-B2 Textile printing ink jet ink composition set and recording method SEIKO EPSON CORPORATION 2022-04-05 — — 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 (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-12534852-B2 Ink composition for ink jet textile printing and recording method IL4, WIZ, TCF12 P2RY4 632/4885THRB 2468/4885P2RY2 1748/4885
US-11827797-B2 Ink jet ink for textile printing, ink set, and textile printing method IK, CUL4A, CUL4B P2RY4 1533/4885THRB 4139/4885P2RY2 3803/4885

“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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