SCHEMBL976932

SCHEMBL976932

O=C(NO)c1sc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
MAPT P10636 6/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
IKBKB O14920 4/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
BTK Q06187 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
PTPRF P10586 1/20 0.48
PTPN1 P18031 1/20 0.48
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC7 Q8WUI4 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL974441 0.82 HDAC1 (0.54) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL977550 0.79 MAPT (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL975736 0.77 NPC1 (0.52) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL976475 0.77 HDAC6 (0.44) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL977763 0.76 HDAC1 (0.58) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL12922055 0.75 IKBKB (0.54) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL13845041 0.74 MAPT (0.43) HDAC1MAPTALDH1A1HDAC8PTPN1
SCHEMBL975166 0.74 NPSR1 (0.74) HDAC1KDM4EIKBKBHDAC8RXFP1
SCHEMBL974053 0.73 HDAC1 (0.56) HDAC1MAPTKDM4EALDH1A1MEN1
SCHEMBL5903684 0.72 HDAC1 (1.00) HDAC1MAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885MAPT 2336/4885KDM4E 165/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885MAPT 2336/4885KDM4E 165/4885

“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.