SCHEMBL2859639

SCHEMBL2859639

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

nearest known ligand 0.53

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 15)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
APEX1 P27695 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
CNR2 P34972 15/20 0.47
CNR1 P21554 10/20 0.47
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2868709 0.98 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL2859161 0.95 THRB (0.56) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9108467 0.94 THRB (0.51) THRBMEN1KMT2ATDP1APEX1
SCHEMBL124487 0.88 THRB (0.50) THRBMEN1KMT2ATDP1APEX1
SCHEMBL20740546 0.86 THRB (0.48) THRBMEN1KMT2ATDP1APEX1
SCHEMBL29413087 0.85 THRB (0.50) THRBMEN1KMT2ATDP1APEX1
SCHEMBL1925726 0.85 SNCA (0.55) THRBMEN1KMT2ATDP1APEX1
SCHEMBL126069 0.84 THRB (0.47) THRBMEN1KMT2ATDP1APEX1
SCHEMBL9106113 0.82 THRB (0.53) THRBMEN1KMT2ATDP1APEX1
SCHEMBL341270 0.81 THRB (0.45) THRBMEN1KMT2ATDP1CNR2

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 37 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
WO-2004013178-A1 FUSION PROTEINS BETWEEN A FLUORESCENT PROTEIN AND AN IONOTROPIC RECEPTOR AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-02-12 WO claimed
EP-0986759-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-03-22 EP claimed
WO-1998055873-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-10 WO claimed
US-20250018066-A1 Ophthalmic dye composition VITREQ B.V. (NL) 2025-01-16 US disclosed
US-20210213144-A1 OPHTHALMIC DYE COMPOSITION VITREQ B.V. (NL) 2021-07-15 US disclosed
US-10589003-B2 Methods for coating surfaces with antimicrobial agents THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-17 US disclosed
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-25 US disclosed
CN-108587237-A A kind of polymolecularity acid dyes and preparation method thereof 浩沙实业(福建)有限公司 2018-09-28 CN disclosed
WO-2018007457-A1 OPHTHALMIC DYE VITREQ B.V. (NL) 2018-01-11 WO disclosed
WO-2017182620-A2 OPHTHALMIC DYE COMPOSITION VITREQ B.V. (NL) 2017-10-26 WO disclosed
EP-1514112-A2 METHOD FOR ISOLATING AN ALLOSTERIC EFFECTOR OF A RECEPTOR CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-03-16 EP disclosed
US-20040163968-A1 Electrochemical production of dyes using graphite felt electrodes EMERALD HILTON DAVIS, LLC 2004-08-26 US disclosed
WO-2004013178-A1 FUSION PROTEINS BETWEEN A FLUORESCENT PROTEIN AND AN IONOTROPIC RECEPTOR AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2004-02-12 WO disclosed
EP-1372581-A1 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES L'Avant Garde Inc. (US) 2004-01-02 EP disclosed
WO-2003107004-A2 METHOD FOR ISOLATING AN ALLOSTERIC EFFECTOR OF A RECEPTOR CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-12-24 WO disclosed
WO-2002074270-A1 COMPOSITION FOR SIMULTANEOUSLY LIGHTENING AND COLORING HAIR UTILIZING BLEACH-STABLE ACID AND BASIC DYES L'AVANT GARDE INC. (US) 2002-09-26 WO disclosed
EP-0986759-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2000-03-22 EP disclosed
WO-1998055873-A2 USE OF A FLUORESCENT PROTEIN FOR DETECTING INTERACTION BETWEEN A TARGET PROTEIN AND ITS LIGAND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-10 WO 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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 THRB 4713/4885MEN1 4111/4885KMT2A 3316/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 THRB 4713/4885MEN1 4111/4885KMT2A 3316/4885

“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.