SCHEMBL5859497

SCHEMBL5859497

O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)cc1.[Na+].[Na+]

nearest known ligand 0.61

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 2/20 0.48
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ GRK2 P25098 1/20 0.61
▸ PLEC Q15149 1/20 0.61
▸ APEX1 P27695 2/20 0.57
▸ ENPP2 Q13822 3/20 0.57
▸ APP P05067 1/20 0.50
▸ PTPN1 P18031 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PRMT1 Q99873 1/20 0.46
▸ DUSP5 Q16690 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL29833871 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL590957 1.00 MEN1 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29425680 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL15153906 0.91 ENPP2 (0.61) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29396086 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL7558820 0.90 MEN1 (0.70) MEN1KMT2APOLBGRK2PLEC
SCHEMBL29702572 0.89 USP2 (0.62) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791648 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL11791659 0.86 MEN1 (0.66) MEN1KMT2APOLBGRK2PLEC
SCHEMBL5859446 0.86 POLB (0.66) MEN1KMT2APOLBGRK2PLEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240204171-A1 ELECTRODE COMPRISING CARBON NANOTUBES AND AROMATIC COMPOUNDS AND PROCESS OF PREPARATION THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-06-20 — — US disclosed
WO-2024028873-A1 TRANSPARENT ELECTRODES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2024-02-08 — — WO disclosed
EP-4288384-A1 A NONCOVALENT HYBRID COMPRISING CARBON NANOTUBES (CNT) AND AROMATIC COMPOUNDS AND USES THEREOF Yeda Research and Development Co. Ltd (IL) 2023-12-13 — — EP disclosed
US-7122572-B2 For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-17 — — US disclosed
US-7041819-B2 Halogenated calixpyrroles and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-09 — — US disclosed
US-6984734-B2 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-01-10 — — US disclosed
US-20030229131-A1 Cyclo[n]pyrroles and methods thereto BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-12-11 — — US disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 — — WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 — — US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 — — US disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 — — US disclosed
EP-0891364-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-20 — — EP disclosed
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 — — 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-20030229131-A1 Cyclo[n]pyrroles and methods thereto PPOX, QPCT, PPIE THRB 4833/4885MEN1 3178/4885KMT2A 4159/4885
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 THRB 2317/4885MEN1 4516/4885KMT2A 4131/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR THRB 4320/4885MEN1 3349/4885KMT2A 3351/4885

“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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