SCHEMBL13655537

SCHEMBL13655537

CN(C)c1cccc2c(S(=O)(=O)NCCN=[N+]=[N-])cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ EDNRA P25101 6/20 0.53
▸ F2 P00734 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ GBA1 P04062 3/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ GLB1 P16278 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PTGS2 P35354 1/20 0.48

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
SCHEMBL13598768 0.93 HDAC4 (0.59) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4139459 0.83 HDAC4 (0.75) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4126957 0.83 HDAC4 (0.71) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL10002025 0.81 HDAC4 (0.62) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4142506 0.81 HDAC4 (0.77) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL572629 0.80 HDAC4 (0.65) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL1577877 0.80 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL2639212 0.80 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL21597956 0.80 CYP3A4 (0.57) F2PRSS1PRSS2PRSS3GBA1
SCHEMBL2639209 0.80 HDAC4 (0.61) HDAC4HDAC10HDAC6HDAC5EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 — — EP disclosed
US-20210172948-A1 METHOD FOR DETECTING BACTERIA ACCORDING TO THE GRAM SIGNAL THEREOF IN A COMPLEX SAMPLE MAAT PHARMA (FR) 2021-06-10 — — US disclosed
EP-3807416-A1 METHOD FOR DETECTING BACTERIA ACCORDING TO THE GRAM SIGNAL THEREOF IN A COMPLEX SAMPLE Maat Pharma (FR) 2021-04-21 — — EP disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 — — WO disclosed
WO-2019243714-A1 METHOD FOR DETECTING BACTERIA ACCORDING TO THE GRAM SIGNAL THEREOF IN A COMPLEX SAMPLE MAAT PHARMA (FR) 2019-12-26 — — WO disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US disclosed
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US disclosed
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2013-08-15 — — US disclosed
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2013-08-15 — — US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 — — US disclosed
WO-2012022932-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF UCL BUSINESS PLC (GB) 2012-02-23 — — WO disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — US disclosed
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES MELANDER CHRISTIAN 2011-05-19 — — US disclosed
US-20110065164-A1 DOUBLE-LABELLING AGENTS BASED ON VINYL SULPHONE UNIVERSIDAD DE GRANADA (ES) 2011-03-17 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
US-7897631-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2011-03-01 — — US disclosed
WO-2009131654-A2 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-29 — — WO disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — US disclosed
US-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-22 — — US disclosed
WO-2009106665-A1 DOUBLE-LABELLING AGENTS BASED ON VINYL SULPHONE UNIVERSIDAD DE GRANADA (ES) 2009-09-03 — — 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 (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-20090263438-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 HDAC4 288/4885HDAC10 595/4885HDAC6 116/4885
US-20110117158-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 HDAC4 288/4885HDAC10 595/4885HDAC6 116/4885
US-20130209361-A1 PROCESS FOR PRODUCING RADIOHALOGENATED BIOCONJUGATES AND PRODUCTS THEREOF QPCT, CBR3, SSTR5 HDAC4 4381/4885HDAC10 3839/4885HDAC6 2005/4885
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 HDAC4 288/4885HDAC10 595/4885HDAC6 116/4885
US-20110065164-A1 DOUBLE-LABELLING AGENTS BASED ON VINYL SULPHONE SUMO2, VCL, NEDD4 HDAC4 3972/4885HDAC10 2489/4885HDAC6 1876/4885

“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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