SCHEMBL29436781

SCHEMBL29436781

O=S(=O)([O-])c1cc(N=Nc2c(O)ccc3ccccc23)c2c(O)c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]

nearest known ligand 0.55

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 0.50
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ GRK2 P25098 1/20 0.55
▸ PLEC Q15149 1/20 0.55
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PTPRA P18433 1/20 0.52
▸ PTPRB P23467 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RAPGEF4 Q8WZA2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ DNASE1L3 Q13609 1/20 0.51
▸ PTPN1 P18031 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ USP2 O75604 1/20 0.50

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
SCHEMBL31525848 0.86 CYP1A2 (0.67) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL14418371 0.86 CYP1A2 (0.67) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL11763437 0.86 CYP1A2 (0.67) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL9577791 0.85 THRB (0.60) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL29357249 0.85 THRB (0.60) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL9577785 0.85 THRB (0.60) KMT2AMEN1CYP1A2CYP2C9HIF1A
SCHEMBL29366329 0.84 THRB (0.65) KMT2AMEN1CYP1A2CYP2C9HIF1A
Pontacyl Violet 6R SCHEMBL29862139 0.82 CYP1A2 (0.74) KMT2AMEN1POLBGRK2PLEC
SCHEMBL93701 0.82 APP (0.72) KMT2AMEN1POLBGRK2PLEC
SCHEMBL29353967 0.82 APP (0.72) KMT2AMEN1POLBGRK2PLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025099313-A1 REDUCING BACKGROUND FLUORESCENCE IN SINGLE MOLECULE FLUORESCENCE IN SITU HYBRIDIZATION APPLICATIONS RESOLVE BIOSCIENCES GMBH (DE) 2025-05-15 — — WO disclosed
CN-111213056-B Colorimetric aerosol and gas detection for aerosol delivery devices 莱战略控股公司 2022-10-04 — — CN disclosed
US-11236234-B2 Joint compounds and plasters with a complexometric dye and methods UNITED STATES GYPSUM COMPANY (US) 2022-02-01 — — 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 (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-11236234-B2 Joint compounds and plasters with a complexometric dye and methods LCP1, INTS6, PLOD2 THRB 4881/4885KMT2A 451/4885MEN1 888/4885

“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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