SCHEMBL126069

SCHEMBL126069

CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc([C+](c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c2ccc(O)cc2S(=O)(=O)[O-])cc1.[Na+].[Na+]

nearest known ligand 0.47

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 18)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CNR2 P34972 7/20 0.37
CNR1 P21554 6/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SNCA P37840 2/20 0.35
P2RX7 Q99572 2/20 0.35
S1PR1 P21453 3/20 0.34
ESR1 P03372 1/20 0.34
ESRRG P62508 1/20 0.34

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
SCHEMBL124487 0.88 THRB (0.50) THRBMEN1KMT2ATDP1APEX1
SCHEMBL20740546 0.86 THRB (0.48) THRBMEN1KMT2ATDP1APEX1
SCHEMBL341270 0.86 THRB (0.45) THRBMEN1KMT2ATDP1CNR2
SCHEMBL29413087 0.85 THRB (0.50) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2859639 0.84 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2868709 0.84 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9106113 0.83 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2859161 0.82 THRB (0.56) THRBMEN1KMT2ATDP1APEX1
Ammonia Solution, Strong SCHEMBL1462578 0.82 THRB (0.49) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9108467 0.81 THRB (0.51) THRBMEN1KMT2ATDP1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984303-B2 Electrochemical production of dyes using graphite felt electrodes NOVEON IP HOLDINGS CORP. (US) 2006-01-10 US claimed
US-20040163968-A1 Electrochemical production of dyes using graphite felt electrodes EMERALD HILTON DAVIS, LLC 2004-08-26 US claimed
US-20260063622-A1 METHOD, SYSTEM, AND DEVICE FOR ANALYZING CELLULAR PROPERTIES WITH MACHINE LEARNING TO IDENTIFY STATES OF SENESCENCE UNIV NEW YORK (US) 2026-03-05 US disclosed
US-20260043720-A1 STABILIZED TWO-PART HEMATOXYLIN SOLUTION UTILIZING pH ADJUSTMENT VENTANA MED SYST INC (US) 2026-02-12 US disclosed
US-12474240-B2 Stabilized two-part hematoxylin solution utilizing pH adjustment VENTANA MEDICAL SYSTEMS, INC. (US) 2025-11-18 US disclosed
EP-4547291-A1 LIGHT BEAM PROJECTION GUIDED BIOFABRICATION OF ALIGNED TISSUES ETH Zurich (CH) 2025-05-07 EP disclosed
EP-4305183-B1 METHODS FOR DELIVERING A CARGO INTO A CELL Trince bv (BE) 2025-05-07 EP disclosed
CN-119789880-A Biological manufacture of directional tissue guided by beam projection 苏黎世联邦理工学院 2025-04-08 CN disclosed
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 US disclosed
EP-4501319-A1 TABLET, PRINTED MATTER, AND PRINTING METHOD FOR EDIBLE INK Toppan Holdings Inc. (JP) 2025-02-05 EP disclosed
US-20250017863-A1 TABLET, PRINTED MATTER, AND EDIBLE INK PRINTING METHOD TOPPAN HOLDINGS INC. (JP) 2025-01-16 US disclosed
US-20040179889-A1 Liquid applicator for coloring a liquid MEDI-FLEX HOSPITAL PRODUCTS, INC. 2004-09-16 US disclosed
US-20040163968-A1 Electrochemical production of dyes using graphite felt electrodes EMERALD HILTON DAVIS, LLC 2004-08-26 US disclosed
US-6729786-B1 Liquid applicator for coloring a liquid MEDIFLEX HOSPITAL PRODUCTS, INC. 2004-05-04 US disclosed
US-6577884-B1 Detection of stroke events using diffuse optical tomagraphy THE GENERAL HOSPITAL CORPORATION 2003-06-10 US disclosed
US-6516214-B1 Detection of stroke events using diffuse optical tomography THE GENERAL HOSPITAL CORPORATION 2003-02-04 US disclosed
EP-1251771-A2 DETECTION OF STROKE EVENTS USING DIFFUSE OPTICAL TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION (US) 2002-10-30 EP disclosed
WO-2001052719-A2 DETECTION OF STROKE EVENTS USING DIFFUSE OPTICAL TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION (US) 2001-07-26 WO disclosed
US-5807604-A SOLVENT MIXTURE COMPRISING TARTRAZINE YELLOW AND AQUEOUS ETHYLENE GLYCOL PRESERVED BOTANICALS, INC. (US) 1998-09-15 US disclosed
US-5693361-A SOAKING NATURAL PLANT MATERIALS IN AQUEOUS SOLUTION CONTAINING ETHYLENE GLYCOL AND DISSOLVED CARBON DIOXIDE, FOR DECORATIONS PRESERVED BOTANICALS, INC. (US) 1997-12-02 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-20260063622-A1 METHOD, SYSTEM, AND DEVICE FOR ANALYZING CELLULAR PROPERTIES WITH MACHINE LEARNING TO IDENTIFY STATES OF SENESCENCE FN1, COL2A1, TFAM THRB 1305/4885MEN1 3160/4885KMT2A 3323/4885
US-20260043720-A1 STABILIZED TWO-PART HEMATOXYLIN SOLUTION UTILIZING pH ADJUSTMENT SMCHD1, KIT, CD68 THRB 3803/4885MEN1 53/4885KMT2A 897/4885

“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.