SCHEMBL29394731

SCHEMBL29394731

O=S(=O)([O-])c1ccc2c(N=Nc3ccccc3)c(O)ccc2c1.[Na+]

nearest known ligand 0.85

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 0.85
▸ APP P05067 1/20 0.68
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ MAPT P10636 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ PTPN1 P18031 2/20 0.56
▸ TDP1 Q9NUW8 4/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ GLO1 Q04760 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTPRA P18433 1/20 0.55
▸ PTPRB P23467 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ RAPGEF4 Q8WZA2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ POLB P06746 2/20 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
SCHEMBL755171 1.00 THRB (0.85) THRBAPPCYP1A2CYP2C9MAPT
SCHEMBL9343017 1.00 THRB (0.85) THRBAPPCYP1A2CYP2C9MAPT
E110 SCHEMBL142458 0.92 THRB (1.00) THRBAPPCYP1A2CYP2C9MAPT
E110 SCHEMBL29350765 0.92 THRB (1.00) THRBAPPCYP1A2CYP2C9MAPT
E110 SCHEMBL323402 0.92 THRB (1.00) THRBAPPCYP1A2CYP2C9MAPT
E110 SCHEMBL13276157 0.92 THRB (1.00) THRBAPPCYP1A2CYP2C9MAPT
SCHEMBL29859739 0.91 THRB (0.79) THRBAPPCYP1A2CYP2C9MAPT
SCHEMBL1507664 0.91 THRB (0.79) THRBAPPCYP1A2CYP2C9MAPT
SCHEMBL12760915 0.89 THRB (0.95) THRBAPPCYP1A2CYP2C9MAPT
SCHEMBL29489969 0.88 THRB (0.88) THRBAPPCYP1A2CYP2C9MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12364659-B2 Multicomponent in situ coloration composition WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2025-07-22 — — US disclosed
US-20250114287-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2025-04-10 — — US disclosed
US-12201714-B2 Multicomponent pur composition WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2025-01-21 — — US disclosed
US-20240261213-A1 MULTICOMPONENT PUR COMPOSITION Wella International Operations Switzerland Sárl (CH) 2024-08-08 — — US disclosed
US-12053542-B2 Multicomponent silicone composition WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2024-08-06 — — US disclosed
US-20230416546-A1 Ink Jet Ink Composition And Ink Receiving Body SEIKO EPSON CORPORATION (JP) 2023-12-28 — — US disclosed
CN-116891655-A Inkjet ink composition and ink container 精工爱普生株式会社 2023-10-17 — — CN disclosed
US-11478415-B2 Multicomponent composition WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-10-25 — — US disclosed
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 — — US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 — — 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 (8 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-20250114287-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES KRT18, ITGA5, FLNA THRB 3175/4885APP 1393/4885CYP1A2 2440/4885
US-12053542-B2 Multicomponent silicone composition CUTA, CD99, PLOD3 THRB 2178/4885APP 853/4885CYP1A2 1969/4885
US-12364659-B2 Multicomponent in situ coloration composition KRT18, PRKDC, VIM THRB 3076/4885APP 3841/4885CYP1A2 3272/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM THRB 3076/4885APP 3841/4885CYP1A2 3272/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 THRB 3674/4885APP 1257/4885CYP1A2 3762/4885
US-12201714-B2 Multicomponent pur composition KRT18, EXOSC9, EXOSC4 THRB 3741/4885APP 890/4885CYP1A2 4178/4885
US-20240261213-A1 MULTICOMPONENT PUR COMPOSITION KRT18, EXOSC9, EXOSC4 THRB 3741/4885APP 890/4885CYP1A2 4178/4885
US-11478415-B2 Multicomponent composition KRT18, INCENP, IK THRB 3797/4885APP 828/4885CYP1A2 3453/4885

“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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