SCHEMBL340854

SCHEMBL340854

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

nearest known ligand 0.44

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
PPARG known ✓ P37231 1/20 0.41
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CNR2 P34972 11/20 0.39
CNR1 P21554 8/20 0.39
MAPK1 P28482 3/20 0.36
PKM P14618 2/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35

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
Isosulfan Blue Inner Salt SCHEMBL3324345 0.90 MEN1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL341270 0.89 THRB (0.45) MEN1KMT2AALDH1A1MAPTCNR2
SCHEMBL126069 0.81 THRB (0.47) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL124487 0.80 THRB (0.50) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL340120 0.80 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL20740546 0.77 THRB (0.48) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL2859639 0.76 THRB (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL29413087 0.75 THRB (0.50) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL2868709 0.73 THRB (0.53) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9106113 0.72 THRB (0.53) MEN1KMT2AALDH1A1MAPTBLM

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 113 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
EP-3894839-B1 SYSTEM SUITABILITY METHOD FOR USE WITH PROTEIN CONCENTRATION DETERMINATION BY SLOPE AMGEN INC (US) 2026-01-28 EP disclosed
US-12000775-B2 System suitability method for use with protein concentration determination by slope AMGEN INC. (US) 2024-06-04 US disclosed
EP-3519060-B1 ORAL CARE COMPOSITIONS WITH INCREASED WHITENING EFFICACY COLGATE PALMOLIVE CO (US) 2022-12-14 EP 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-11400032-B2 Tooth whitening oral care product with core shell silica particles COLGATE-PALMOLIVE COMPANY (US) 2022-08-02 US 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
US-20220146413-A1 SYSTEM SUITABILITY METHOD FOR USE WITH PROTEIN CONCENTRATION DETERMINATION BY SLOPE AMGEN INC. (US) 2022-05-12 US disclosed
CN-109890464-B Oral care compositions with increased whitening efficacy 高露洁-棕榄公司 2022-04-05 CN disclosed
US-6057078-A PHOTOGRAPHY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed
US-5807604-A SOLVENT MIXTURE COMPRISING TARTRAZINE YELLOW AND AQUEOUS ETHYLENE GLYCOL PRESERVED BOTANICALS, INC. (US) 1998-09-15 US disclosed
US-5693361-A SOAKING NATURAL PLANT MATERIALS IN AQUEOUS SOLUTION CONTAINING ETHYLENE GLYCOL AND DISSOLVED CARBON DIOXIDE, FOR DECORATIONS PRESERVED BOTANICALS, INC. (US) 1997-12-02 US disclosed
CN-1160058-A Borate photoinitiators from polyboranes CIBA GEIGY AG (CH) 1997-09-24 CN disclosed
EP-0569488-B1 BORATE COINITIATORS FOR PHOTOPOLYMERIZABLE COMPOSITIONS DU PONT (US) 1996-09-04 EP disclosed
EP-0569488-A1 BORATE COINITIATORS FOR PHOTOPOLYMERIZABLE COMPOSITIONS. DU PONT (US) 1993-11-18 EP disclosed
EP-0286250-B1 COMPOSITION FOR THE TREATMENT OF PERIODONTAL DISEASE BTG INTERNATIONAL LIMITED (GB) 1993-08-04 EP disclosed
WO-1992013900-A1 BORATE COINITIATORS FOR PHOTOPOLYMERIZABLE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
US-5087451-A Applying nontoxic lewis acid and redox dye NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-02-11 US disclosed
EP-0286250-A1 Composition for the treatment of periodontal disease BTG INTERNATIONAL LIMITED (GB) 1988-10-12 EP 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-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP PPARG 3624/4885MEN1 4263/4885KMT2A 2627/4885
US-11400032-B2 Tooth whitening oral care product with core shell silica particles CBFB, IK, PWWP2B PPARG 3527/4885MEN1 4481/4885KMT2A 2893/4885

“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.