SCHEMBL2862964

SCHEMBL2862964

O=S(=O)([O-])c1cccc2c(N=Nc3ccc(N=Nc4ccc(Nc5ccccc5)c5c(S(=O)(=O)[O-])cccc45)c4ccccc34)cccc12.[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 3/20 0.53
▸ P2RY12 known ✓ Q9H244 5/20 0.39
▸ P2RY2 known ✓ P41231 3/20 0.39
▸ P2RY4 known ✓ P51582 3/20 0.39
▸ P2RY1 known ✓ P47900 2/20 0.39
▸ P2RY6 known ✓ Q15077 2/20 0.39
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SNCA P37840 2/20 0.50
▸ CHAT P28329 2/20 0.50
▸ CDK2 P24941 3/20 0.44
▸ TTR P02766 1/20 0.44
▸ FABP4 P15090 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ ENPP2 Q13822 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ DUSP5 Q16690 1/20 0.38

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
SCHEMBL591337 1.00 THRB (0.53) THRBMEN1KMT2ASNCACHAT
SCHEMBL29353590 1.00 THRB (0.53) THRBMEN1KMT2ASNCACHAT
SCHEMBL29356356 0.87 KMT2A (0.52) THRBMEN1KMT2ASNCACHAT
SCHEMBL2858719 0.87 KMT2A (0.52) THRBMEN1KMT2ASNCACHAT
SCHEMBL11112899 0.87 KMT2A (0.56) THRBMEN1KMT2ASNCACHAT
SCHEMBL11060395 0.86 THRB (0.50) THRBMEN1KMT2ASNCACHAT
SCHEMBL28467677 0.84 THRB (0.61) THRBMEN1KMT2ASNCACHAT
SCHEMBL29501265 0.84 MEN1 (0.69) THRBMEN1KMT2ASNCACHAT
Anazolene SCHEMBL1649427 0.81 KMT2A (0.76) THRBMEN1KMT2ASNCACHAT
Anazolene SCHEMBL23594 0.81 KMT2A (0.76) THRBMEN1KMT2ASNCACHAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE BRIGHT INTERNATIONAL CORP. (US) 2017-02-09 — — 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-5652093-A Analogues of reporter groups as background reducers in binding assays APROGENEX, INC. (US) 1997-07-29 — — US disclosed
US-5501952-A Analogues of reporter groups as background reducers in hybridization assays APROGENEX, INC. (US) 1996-03-26 — — US disclosed
WO-1995002699-A1 ANALOGUES OF REPORTER GROUPS AS BACKGROUNG REDUCERS IN HYBRIDIZATION ASSAYS APROGENEX, INC. (US) 1995-01-26 — — 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 (3 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 4713/4885P2RY12 2658/4885P2RY2 2393/4885
US-20180303977-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS CUTA, CD63, CDC37 THRB 4713/4885P2RY12 2658/4885P2RY2 2393/4885
US-20170035683-A1 NON-AQUEOUS HAIR BLEACHING AND COLORING COMPOSITIONS, METHODS OF MANUFACTURING SAME AND METHODS OF USE SMOX, TET2, TST THRB 3469/4885P2RY12 3119/4885P2RY2 3120/4885

“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.

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