SCHEMBL133302

SCHEMBL133302

Cc1ccc(/N=N/c2c(O)c(S(=O)(=O)[O-])cc3ccc(S(=O)(=O)[O-])cc23)c(C)c1.[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 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.65
▸ HIF1A Q16665 3/20 0.65
▸ PTPN1 P18031 4/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ENPP2 Q13822 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALB P02768 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ HSPE1 P61604 1/20 0.43
▸ TST Q16762 1/20 0.43

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
SCHEMBL6846278 0.91 ALDH1A1 (0.74) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL29350187 0.91 ALDH1A1 (0.74) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL29399244 0.84 ALDH1A1 (0.65) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL1268489 0.80 ALDH1A1 (0.58) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL1268487 0.80 ALDH1A1 (0.58) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL29617554 0.80 ALDH1A1 (0.58) ALDH1A1HIF1APTPN1USP2ATM
SCHEMBL6846279 0.79 HIF1A (1.00) ALDH1A1HIF1AENPP2THRBTDP1
SCHEMBL8816124 0.79 HIF1A (1.00) ALDH1A1HIF1AENPP2THRBTDP1
SCHEMBL4068193 0.79 HIF1A (1.00) ALDH1A1HIF1AENPP2THRBTDP1
SCHEMBL29617556 0.78 ALDH1A1 (0.69) ALDH1A1HIF1APTPN1USP2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119243494-A Dyeing method of Leli silk fabric 吴江市新达印染厂 2025-01-03 — — CN claimed
CN-119108665-A Electrolyte additive, aqueous electrolyte and zinc-based energy storage device 清华大学深圳国际研究生院 2024-12-10 — — CN claimed
US-12130267-B2 Analyzing method for azo compound SHIMADZU CORPORATION (JP) 2024-10-29 — — US claimed
US-20230225952-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2023-07-20 — — US claimed
CN-114894918-B Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2023-07-04 — — CN claimed
EP-4017953-B1 DETERGENT SOLID COMPOSITION UNILEVER IP HOLDINGS B V (NL) 2023-04-12 — — EP 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
CN-115166084-A Method for detecting harmful and overproof substance components of food 颜红印 2022-10-11 — — 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
CN-114894918-A Rapid extraction and purification method and detection method for acid dye in complex food 宁波海关技术中心 2022-08-12 — — CN claimed
US-20030180247-A1 Two-part disinfecting systems and compositions and methods relating thereto ALCIDE CORPORATION (US) 2003-09-25 — — US claimed
US-6533823-B2 Hydrolyzate of a lower alkyl vinyl ether/maleic anhydride copolymer partially crosslinked with a terminally unsaturated diene compound or a monoalkyl ester of the hydrolyzate and a dye; hair dyes KAO CORPORATION (JP) 2003-03-18 — — US claimed
US-6503317-B1 Aqueous based pigment dispersions wherein the pigment is dispersed in a dispersant dye in the absence of any other dispersant or additive and aqueous based printing ink compositions containing these a pigment dispersions. SUN CHEMICAL CORPORATION 2003-01-07 — — US claimed
WO-2002091832-A1 TWO-PART DISINFECTING SYSTEMS AND COMPOSITIONS AND METHODS RELATED THERETO ALCIDE CORPORATION (US) 2002-11-21 — — WO claimed
WO-2002065093-A2 METHODS AND COMPOSITIONS OF AMPLIFYING RNA BAYLOR COLLEGE OF MEDICINE (US) 2002-08-22 — — WO claimed
WO-2002059093-A1 METHODS AND COMPOSITIONS FOR BINDING NUCLEIC ACID MOLECULES GENESPAN CORPORATION (US) 2002-08-01 — — WO claimed
EP-1047739-A1 DYE BASED AQUEOUS PIGMENT DISPERSIONS SUN CHEMICAL CORPORATION (US) 2000-11-02 — — EP claimed
WO-1999061534-A1 DYE BASED AQUEOUS PIGMENT DISPERSIONS SUN CHEMICAL CORPORATION (US) 1999-12-02 — — WO claimed
US-5914806-A Stable electrophoretic particles for displays INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1999-06-22 — — US claimed
US-4440756-A Light-stable pesticidal compositions ROUSSEL UCLAF (FR) 1984-04-03 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230225952-A1 ADDITIVES FOR COLORING AGENTS AND METHODS OF USE THEREOF COXFA4L2, TYR, OAT THRB 2787/4885ALDH1A1 100/4885HIF1A 2043/4885

“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