SCHEMBL126076

SCHEMBL126076

Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.67

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 10/20 0.67
P2RY2 known ✓ P41231 8/20 0.67
P2RY12 known ✓ Q9H244 6/20 0.60
P2RY6 known ✓ Q15077 1/20 0.57
THRB known ✓ P10828 2/20 0.55
P2RY1 known ✓ P47900 2/20 0.55
MET P08581 2/20 0.57
CDK2 P24941 1/20 0.56
MEN1 O00255 2/20 0.55
NSD2 O96028 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
MAPK1 P28482 2/20 0.55
RECQL P46063 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TDP1 Q9NUW8 2/20 0.55

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
SCHEMBL29350751 1.00 P2RY4 (0.67) P2RY4P2RY2P2RY12METP2RY6
Hydrochloric Acid SCHEMBL30808003 0.99 P2RY4 (0.65) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL29637834 0.95 P2RY4 (0.61) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL30106754 0.95 P2RY4 (0.61) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL30311409 0.93 P2RY4 (0.59) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL29354251 0.93 P2RY4 (0.59) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL185515 0.93 P2RY4 (0.59) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL2343041 0.92 P2RY4 (0.58) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL29375867 0.90 P2RY4 (0.56) P2RY4P2RY2P2RY12METP2RY6
SCHEMBL2861363 0.90 P2RY4 (0.56) P2RY4P2RY2P2RY12METP2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 EP claimed
US-9296901-B2 Composite particles, and coloring composition and resin composition using the same TODA KOGYO CORPORATION (JP) 2016-03-29 US claimed
EP-2544723-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME Giuliani International Limited (IE) 2013-01-16 EP claimed
WO-2011110347-A2 COMPOSITIONS FOR COLON LAVAGE AND METHODS OF MAKING AND USING SAME GIULIANI INTERNATIONAL LIMITED (IE) 2011-09-15 WO claimed
CN-1295957-C Treating method of plant leaf to be preserved NIKEN LANTACOM CO LTD (JP) 2007-01-24 CN claimed
CN-1398512-A Treating method of plant leaf to be preserved NIKEN LANTACOM CO LTD (JP) 2003-02-26 CN claimed
WO-2002046741-A1 ELAPSED TIME INDICATOR CHROMA CFHEM PTY LTD. (AU) 2002-06-13 WO claimed
US-5618733-A IONIC SURFACTANT FOR LYSING ERYTHROCYTES AND CAUSING DAMAGE TO LEUKOCYTE CELL MEMBRANES, ORGANIC COMPOUND HAVING ACIDIC GROUP TOA MEDICAL ELECTRONICS CO., LTD. (JP) 1997-04-08 US claimed
CN-122059518-A Application of lignin-based flocculant in treatment of wastewater containing anionic dye 中国人民大学 2026-05-19 CN disclosed
US-20260048043-A1 HIGH LOADING ORAL FILM FORMULATION WITH IMPROVED BIOAVAILABILITY INTELGENX CORP (CA) 2026-02-19 US disclosed
EP-4325272-B1 HEAD-UP DISPLAY SYSTEM FUYAO GLASS IND GROUP CO LTD (CN) 2025-10-01 EP disclosed
EP-4578919-A1 AQUEOUS INK COMPOSITION FOR WRITING INSTRUMENTS, AND WRITING INSTRUMENT HOUSING SAME Kabushiki Kaisha Pilot Corporation (also trading as Pilot Corporation) (JP) 2025-07-02 EP disclosed
WO-2025129358-A1 STABLE FILM FORMULATIONS FOR HIGH LOADING OF LOW MELTING POINT ACTIVES INTELGENX CORP. (CA) 2025-06-26 WO disclosed
EP-4568671-A1 HIGH LOADING ORAL FILM FORMULATION WITH IMPROVED BIOAVAILABILITY Intelgenx Corp. (CA) 2025-06-18 EP disclosed
EP-0525073-B1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA DU PONT (US) 1994-05-25 EP disclosed
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 EP disclosed
US-5098608-A Heat resistant and storage stable detergents SHISEIDO COMPANY LTD. (JP) 1992-03-24 US disclosed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO disclosed
EP-0426984-A2 Transparent solid detergent composition SHISEIDO COMPANY LIMITED (JP) 1991-05-15 EP disclosed
US-5015263-A Composition for coloring skin and method CLAIROL INCORPORATED (US) 1991-05-14 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 (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-20260048043-A1 HIGH LOADING ORAL FILM FORMULATION WITH IMPROVED BIOAVAILABILITY MUC1, TAS2R42, MTX2 P2RY4 2379/4885P2RY2 1989/4885P2RY12 2354/4885

“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.