SCHEMBL2866129

SCHEMBL2866129

O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N/Nc1cccc2ccccc12.[Na+].[Na+]

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
FGF1 known ✓ P05230 1/20 0.34
CA12 known ✓ O43570 1/20 0.33
CA1 known ✓ P00915 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
RECQL P46063 1/20 0.34
PARP1 P09874 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.33
KEAP1 Q14145 1/20 0.33
RHOA P61586 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL29869308 0.86 THRB (0.34) RECQLPARP1KMT2AMEN1ALDH1A1
SCHEMBL1921217 0.86 THRB (0.34) RECQLPARP1KMT2AMEN1ALDH1A1
SCHEMBL4950631 0.81
SCHEMBL21436488 0.80 L3MBTL1 (0.31) KMT2AMEN1POLB
SCHEMBL5359195 0.79 EIF2AK2 (0.34) PARP1PTPN1LMNA
SCHEMBL3624402 0.79 LMNA (0.38) ALDH1A1MAPTLMNA
SCHEMBL2868621 0.77 MAPT (0.37) PARP1KMT2AMEN1MAPTPTPN1
SCHEMBL28997618 0.76 THRB (0.35) RECQLKMT2AMEN1RHOA
SCHEMBL1639154 0.75 PLCG1 (0.34)
SCHEMBL29387249 0.75 LMNA (0.35) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 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
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 US disclosed
US-7202046-B2 interactions with the fluorescent ligand are then detected by means of the changes in the donor's and acceptor's excitation and/or emission energy spectra; ligands are defined as being pharmacologically significant if interaction with target protein is inhibited by the addition of non-fluorescent ligand CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2007-04-10 US disclosed
US-20060194259-A1 Method for isolating an allosteric effector of a receptor UNIVERSITE LOUIS PASTEUR DE STRASSOURG (FR) 2006-08-31 US disclosed
EP-0986759-B1 USE OF A FLUORESCENT PROTEIN FOR DETECTING THE INTERACTION BETWEEN A MEMBRANE RECEPTOR AND ITS LIGAND CENTRE NAT RECH SCIENT (FR) 2006-04-26 EP disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 US disclosed
US-20050059036-A1 Use of a fluorescent protein for detecting interaction between a target protein and its ligand CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-03-17 US 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
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
WO-2003107004-A2 METHOD FOR ISOLATING AN ALLOSTERIC EFFECTOR OF A RECEPTOR CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2003-12-24 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 FGF1 3465/4885CA12 1935/4885CA1 2772/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 FGF1 3465/4885CA12 1935/4885CA1 2772/4885

“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.