SCHEMBL29366329

SCHEMBL29366329

O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)ccc2c1.[Na+].[Na+]

nearest known ligand 0.65

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 3/20 0.65
▸ PTPN1 P18031 3/20 0.62
▸ CYP1A2 P05177 4/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ CYP2C9 P11712 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTPRA P18433 1/20 0.61
▸ PTPRB P23467 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAPGEF4 Q8WZA2 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MPL P40238 4/20 0.53
▸ CTRC Q99895 2/20 0.53
▸ APP P05067 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CTRB1 P17538 1/20 0.48

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
SCHEMBL29357249 0.89 THRB (0.60) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL9577785 0.89 THRB (0.60) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL9577791 0.89 THRB (0.60) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL6234639 0.88 THRB (0.67) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL28767316 0.87 KMT2A (0.77) THRBCYP1A2HIF1ACYP2C9TSHR
SCHEMBL3346357 0.87 KMT2A (0.77) THRBCYP1A2HIF1ACYP2C9TSHR
SCHEMBL93701 0.86 APP (0.72) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL29353967 0.86 APP (0.72) THRBPTPN1CYP1A2HIF1ACYP2C9
SCHEMBL93700 0.86 APP (0.72) THRBPTPN1CYP1A2HIF1ACYP2C9
Amaranth SCHEMBL8618995 0.86 THRB (0.72) THRBPTPN1CYP1A2HIF1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120199619-A Method for preparing fluorine-doped porous carbon material by using dye and application of fluorine-doped porous carbon material 安徽工业大学 2025-06-24 — — CN claimed
CN-116594228-A Method for manufacturing liquid crystal panel, and liquid crystal display device 深圳秋田微电子股份有限公司 2023-08-15 — — CN claimed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 — — CN claimed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO claimed
US-20260145971-A1 METHOD OF WATER PURIFICATION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-05-28 — — US disclosed
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-20260132059-A1 HYDROGEN BONDING STABILIZED POLYARYL ORGANIC SOLVENT NANOFILTRATION MEMBRANE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-05-14 — — US disclosed
US-12611653-B1 Nanocomposite for degrading organic contaminants IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2026-04-28 — — US disclosed
US-20260097386-A1 MULTI-NANOCOMPOSITE FOR WATER DECONTAMINATION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-04-09 — — US disclosed
US-12590018-B1 Nanocomposite for wastewater treatment IMAM MOHAMMAD IBN SAUD ISLAMIC UNIVERSITY (SA) 2026-03-31 — — US disclosed
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2022-06-16 — — US disclosed
US-11358136-B2 Amphoteric dissociation ion exchange medium and uses thereof and method for calibrating separation capacity thereof CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-14 — — 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
EP-3986366-A1 COMPOSITION COMPRISING AT LEAST ONE ALKOXYSILANE, AT LEAST ONE NON-AMINO SILICONE AND WATER, THE ALKOXYSILANE/NON-AMINO SILICONE MASS RATIO RANGING FROM 95/5 TO 5/95 L'OREAL (FR) 2022-04-27 — — EP disclosed
CN-114340588-A Composition comprising at least one alkoxysilane of formula (I), at least one alkoxysilane of formula (II), at least one non-amino silicone and optionally a pigment and/or direct dye 莱雅公司 2022-04-12 — — CN disclosed
US-20220089454-A1 FE2O3 CRYSTALLINE NANOPARTICLES, COMPOSITIONS THEREOF AND PHOTOCATALYST IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2022-03-24 — — US disclosed
US-11235983-B2 Alpha-FE2O3 nanoparticles and method of making and use thereof in photodegradation of organic pollutants, as a photocatalyst and as an antibacterial composition IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2022-02-01 — — 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 (7 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-12611653-B1 Nanocomposite for degrading organic contaminants TDO2, CA4, SCO2 THRB 1933/4885PTPN1 1137/4885CYP1A2 130/4885
US-20260145971-A1 METHOD OF WATER PURIFICATION F7, WRN, CACNA2D2 THRB 4714/4885PTPN1 1760/4885CYP1A2 1505/4885
US-20260097386-A1 MULTI-NANOCOMPOSITE FOR WATER DECONTAMINATION VIM, SMYD3, EPCAM THRB 4775/4885PTPN1 3463/4885CYP1A2 2552/4885
US-12590018-B1 Nanocomposite for wastewater treatment CA4, HAO2, SCO2 THRB 2985/4885PTPN1 867/4885CYP1A2 3252/4885
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 1477/4885PTPN1 3560/4885CYP1A2 479/4885
US-20260132059-A1 HYDROGEN BONDING STABILIZED POLYARYL ORGANIC SOLVENT NANOFILTRATION MEMBRANE HNRNPF, HNRNPM, UFM1 THRB 4155/4885PTPN1 3434/4885CYP1A2 2807/4885
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME KRT18, MARK1, IK THRB 4055/4885PTPN1 3959/4885CYP1A2 1818/4885

“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.

Send feedback