SCHEMBL6301522

SCHEMBL6301522

CCOC(=C=O)CCC1(C)C(C)=[N+](CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[Na+]

nearest known ligand 0.30

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 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14655765 0.93
SCHEMBL6301516 0.85 L3MBTL1 (0.33) MEN1KMT2A
SCHEMBL3242097 0.83 KDM4E (0.35)
SCHEMBL3239940 0.81 KDM4E (0.31)
SCHEMBL45521 0.80 LMNA (0.33)
SCHEMBL6889106 0.78 L3MBTL1 (0.33) KMT2A
SCHEMBL6301520 0.77 L3MBTL1 (0.33) KMT2A
SCHEMBL1797106 0.77 LMNA (0.39) MEN1KMT2A
SCHEMBL137086 0.76 LMNA (0.31)
SCHEMBL3242102 0.76 LMNA (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174045-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2019-01-08 US disclosed
EP-2850078-B1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY INC (US) 2018-04-25 EP disclosed
US-20180002340-A1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY, INC. 2018-01-04 US disclosed
US-9676787-B2 Benzopyrylium compounds PIERCE BIOTECHNOLOGY, INC. (US) 2017-06-13 US disclosed
US-20170152267-A9 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2017-06-01 US disclosed
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS DYOMICS GMBH (DE) 2015-11-12 US disclosed
EP-2850078-A1 BENZOPYRYLIUM COMPOUNDS Pierce Biotechnology, Inc. (US) 2015-03-25 EP disclosed
WO-2014035712-A1 BENZOPYRYLIUM COMPOUNDS PIERCE BIOTECHNOLOGY, INC. (US) 2014-03-06 WO disclosed
US-6924372-B2 Benzopyrylo-polymethine-based hydrophilic markers DYOMICS GMBH (DE) 2005-08-02 US disclosed
US-20040162423-A1 Benzopyrylo-polymethine-based hydrophilic markers DYOMICS GMBH (DE) 2004-08-19 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 (5 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-20170152267-A9 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 MEN1 2192/4885KMT2A 3196/4885
US-20150322078-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 MEN1 2192/4885KMT2A 3196/4885
US-10174045-B2 Benzopyrylium compounds PABPC4, SSBP1, RBBP5 MEN1 2192/4885KMT2A 3196/4885
US-20180002340-A1 BENZOPYRYLIUM COMPOUNDS PABPC4, SSBP1, RBBP5 MEN1 2192/4885KMT2A 3196/4885
US-20040162423-A1 Benzopyrylo-polymethine-based hydrophilic markers EPCAM, CD68, CD44 MEN1 3692/4885KMT2A 3005/4885

“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.