SCHEMBL2692996

SCHEMBL2692996

O=S(=O)(Nc1cccc(C#CCO)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HDAC8 Q9BY41 2/20 0.58
THRB P10828 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR6 P50406 7/20 0.52
IL1RN P18510 1/20 0.51
KEAP1 Q14145 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
HDAC1 Q13547 2/20 0.51
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.49
GFER P55789 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PGR P06401 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1403233 0.92 PGR (0.52) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL2693189 0.84 MEN1 (0.57) MEN1KMT2AHDAC8HTR6IL1RN
SCHEMBL1403078 0.84 KMT2A (0.57) MEN1KMT2AHDAC8IL1RNKEAP1
SCHEMBL8295595 0.81 PTGDR2 (0.49) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL16254730 0.81 HTR6 (0.59) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL8284601 0.80 HDAC8 (0.58) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL11028156 0.78 PGR (0.64) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL5020581 0.77 HDAC8 (0.82) MEN1KMT2AHDAC8THRBTDP1
SCHEMBL8252353 0.77 HDAC1 (0.65) MEN1KMT2AHDAC8HDAC1GAA
SCHEMBL9001184 0.77 KEAP1 (0.79) MEN1KMT2AHTR6IL1RNKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP disclosed
US-20040266718-A1 Inhibition of specific histone deacetylase isoforms LI ZUOMEI (CA) 2004-12-30 US disclosed
EP-1438404-A2 INHIBITION OF SPECIFIC HISTONE DEACETYLASE ISOFORMS Methylgene, Inc. (CA) 2004-07-21 EP disclosed
US-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
WO-2003006652-A2 INHIBITION OF SPECIFIC HISTONE DEACETYLASE ISOFORMS METHYLGENE, INC. (CA) 2003-01-23 WO disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP disclosed
US-20020061860-A1 Antisense oligonucleotide inhibition of specific histone deacetylase isoforms METHYLGENE, INC. (CA) 2002-05-23 US disclosed
WO-2001038322-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-05-31 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 (4 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-20020061860-A1 Antisense oligonucleotide inhibition of specific histone deacetylase isoforms HDAC5, HDAC1, HDAC8 MEN1 4127/4885KMT2A 72/4885HDAC8 3/4885
US-20040266718-A1 Inhibition of specific histone deacetylase isoforms HDAC1, HDAC5, HDAC3 MEN1 3953/4885KMT2A 49/4885HDAC8 8/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 MEN1 1848/4885KMT2A 36/4885HDAC8 9/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 MEN1 1848/4885KMT2A 36/4885HDAC8 9/4885

“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.