SCHEMBL341270

SCHEMBL341270

CCN(Cc1ccccc1)c1ccc([C+](c2ccc(N(CC)Cc3ccccc3)cc2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Na+]

nearest known ligand 0.45

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 11)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.45
TSHR P16473 1/20 0.45
CNR2 P34972 16/20 0.44
CNR1 P21554 10/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL340854 0.89 MEN1 (0.44) CNR2CNR1KDM4EMEN1ALDH1A1
SCHEMBL124487 0.87 THRB (0.50) THRBTSHRCNR2CNR1KDM4E
SCHEMBL126069 0.86 THRB (0.47) THRBCNR2CNR1KDM4EMEN1
SCHEMBL20740546 0.85 THRB (0.48) THRBTSHRCNR2CNR1KDM4E
SCHEMBL2859161 0.83 THRB (0.56) THRBTSHRCNR2CNR1KDM4E
SCHEMBL29413087 0.83 THRB (0.50) THRBTSHRCNR2CNR1KDM4E
SCHEMBL2859639 0.81 THRB (0.53) THRBCNR2CNR1KDM4EMEN1
SCHEMBL2868709 0.81 THRB (0.53) THRBTSHRCNR2CNR1KDM4E
SCHEMBL9106113 0.80 THRB (0.53) THRBTSHRCNR2CNR1KDM4E
Isosulfan Blue Inner Salt SCHEMBL3324345 0.79 MEN1 (0.44) CNR2CNR1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743523-B1 Dye-based reference material, preparation and use thereof BAYER AG (US) 2002-08-28 EP claimed
CN-119371904-A Multilayer explosion-proof nano film and manufacturing method thereof 南通通易航天科技股份有限公司 2025-01-28 CN disclosed
CN-118498103-A Spandex composite coated yarn and preparation process thereof 杭州惠丰化纤有限公司 2024-08-16 CN disclosed
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
EP-2710996-B1 Sunscreen compositions comprising colour pigments BASF SE (DE) 2022-08-17 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
CN-107108388-B Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-112374933-A Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-19 CN disclosed
EP-3763691-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3763692-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP 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
EP-1663138-B1 DYE COMPOSITION AND METHOD FOR DETECTION OF DEMINERALIZED LESIONS IN TEETH PROCTER & GAMBLE (US) 2008-11-26 EP 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
CN-1842319-A Dye composition and method for examining tooth demineralization damage PROCTER & GAMBLE (US) 2006-10-04 CN 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-20050058602-A1 Dye composition and method for detection of demineralized lesions in teeth THE PROCTER & GAMBLE COMPANY 2005-03-17 US disclosed
WO-2003089559-A1 BLUE COLORED LIQUID CRYSTAL COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2003-10-30 WO disclosed
US-6475975-B1 Blue colored liquid crystal compositions COLGATE-PALMOLIVE COMPANY 2002-11-05 US disclosed
WO-1994009360-A1 ASSAY FOR CATIONIC SURFACTANTS CTS BIOCIDES LTD. (GB) 1994-04-28 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 (1 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-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP THRB 972/4885TSHR 652/4885CNR2 2236/4885

“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.