SCHEMBL2691322

SCHEMBL2691322

O=C(Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)NO

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.76
HDAC8 Q9BY41 3/20 0.76
EGFR P00533 8/20 0.66
ERBB2 P04626 8/20 0.66
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HDAC4 P56524 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NHERF1 O14745 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
AR P10275 1/20 0.51

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
SCHEMBL2691033 0.87 HDAC1 (0.74) HDAC1HDAC8EGFRERBB2SMN1; SMN2
SCHEMBL14812106 0.87 HDAC8 (1.00) HDAC1HDAC8EGFRERBB2HDAC4
SCHEMBL8242720 0.83 HDAC8 (0.69) HDAC1HDAC8CYP1A2CYP3A4CYP2C19
SCHEMBL27768734 0.82 HDAC8 (0.67) HDAC1HDAC8EGFRERBB2SMN1; SMN2
SCHEMBL2888726 0.81 NPSR1 (0.64) HDAC1HDAC8EGFRERBB2CYP1A2
SCHEMBL2690605 0.81 HDAC1 (0.65) HDAC1HDAC8CYP1A2CYP3A4CYP2D6
SCHEMBL9535518 0.80 NPSR1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8248238 0.80 HDAC1 (0.71) HDAC1HDAC8HTTSMN1; SMN2HDAC4
SCHEMBL28412418 0.78 UCHL1 (0.76) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13028489 0.78 UCHL1 (0.60) HDAC1HDAC8EGFRERBB2CYP1A2

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 20 patents. 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
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
CN-101610996-A Histone deacetylase inhibitors and prodrugs thereof METHYLGENE INC (CA) 2009-12-23 CN disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 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-6541661-B1 For treating cell proliferative diseases and conditions METHYLGENE, INC. (CA) 2003-04-01 US disclosed
EP-1233958-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2002-08-28 EP 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 (2 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885EGFR 2208/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885EGFR 2208/4885

“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.