SCHEMBL2859643

SCHEMBL2859643

CCOc1ccc(N=Nc2ccc(/C=C\c3ccc(N=Nc4ccc(OCC)cc4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)cc1.[Na+].[Na+]

nearest known ligand 0.58

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
P2RY6 known ✓ Q15077 1/20 0.40
CA12 known ✓ O43570 1/20 0.40
CA1 known ✓ P00915 1/20 0.40
CA2 known ✓ P00918 1/20 0.40
RAD51 Q06609 10/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
USP2 O75604 2/20 0.58
LTA P01374 2/20 0.58
CYP3A4 P08684 2/20 0.58
HPGD P15428 2/20 0.58
P2RX3 P56373 2/20 0.58
HSD17B10 Q99714 2/20 0.58
CYP1A2 P05177 1/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAD1 O60671 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL29359838 1.00 RAD51 (0.58) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL24884926 0.86 ALDH1A1 (0.59) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL17518456 0.86 ALDH1A1 (0.59) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL21166341 0.86 ALDH1A1 (0.59) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL29533569 0.82 ALDH1A1 (0.48) ALDH1A1TDP1MAPTCYP1A2MEN1
SCHEMBL15424219 0.81 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2RAD1P2RY6
SCHEMBL8947191 0.81 ALDH1A1 (0.53) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL10488404 0.81 ALDH1A1 (0.47) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL10488400 0.81 ALDH1A1 (0.47) RAD51ALDH1A1TDP1MAPTKDM4E
SCHEMBL1695298 0.78 RAD51 (0.62) RAD51ALDH1A1TDP1MAPTKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109403116-B Anti-myopia paper and preparation method and application thereof 广州市咏润纸业科技有限公司 2021-07-27 CN disclosed
CN-109403117-B Composite kraft paper and preparation method thereof 广州市咏润纸业科技有限公司 2021-07-27 CN 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
CN-109403117-A Composite kraft paper and preparation method thereof 广州市咏润纸业科技有限公司 2019-03-01 CN 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-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-5618726-A DYE HAVING LIGNIN-LIKE SUBSTITUTION PATTERN AND A MICROBE CAPABLE OF PRODUCING EXTRACELLULAR PEROXIDASE IDAHO RESEARCH FOUNDATION, INC. (US) 1997-04-08 US disclosed
US-5486214-A MONO OR DISAZO DYES, LIGNIN PEROXIDASE AND VERATRYL ALCOHOL MIXTURE FOR DEGRADATION OF DYES IDAHO RESEARCH FOUNDATION, INC. (US) 1996-01-23 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-10589003-B2 Methods for coating surfaces with antimicrobial agents CUTA, CD63, CDC37 P2RY6 1966/4885CA12 1935/4885CA1 2772/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 P2RY6 1966/4885CA12 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.