SCHEMBL974053

SCHEMBL974053

O=C(NO)c1cc(-c2ccccc2)sc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
GAA P10253 4/20 0.53
MAPT P10636 4/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PTPN5 P54829 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IKBKB O14920 3/20 0.49
HDAC8 Q9BY41 1/20 0.49
ERO1A Q96HE7 1/20 0.48
JAK2 O60674 2/20 0.48
JAK3 P52333 1/20 0.48
CHEK1 O14757 2/20 0.47
MAP4K4 O95819 1/20 0.47
ADORA1 P30542 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
SCHEMBL4264881 0.82 GAA (0.66) GAAMAPTGFERMEN1ALDH1A1
SCHEMBL28743858 0.79 MAPT (0.54) GAAMAPTGFERMEN1ALDH1A1
SCHEMBL4266992 0.79 ALDH1A1 (0.70) GAAMAPTGFERMEN1ALDH1A1
SCHEMBL976932 0.73 HDAC1 (0.56) HDAC1GAAMAPTGFERMEN1
SCHEMBL974389 0.72 HDAC1 (0.63) HDAC1GAAMEN1ALDH1A1KMT2A
SCHEMBL974441 0.72 HDAC1 (0.54) HDAC1GAAMAPTGFERMEN1
SCHEMBL976420 0.72 ALDH1A1 (0.72) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL5903684 0.72 HDAC1 (1.00) HDAC1MAPTMEN1ALDH1A1KMT2A
SCHEMBL4257477 0.71 IKBKB (0.54) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL25060944 0.71 HDAC7 (0.69) HDAC1GAAALDH1A1HDAC8HDAC7

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 10 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
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 1/4885GAA 245/4885MAPT 2336/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885GAA 245/4885MAPT 2336/4885

“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.