SCHEMBL975727

SCHEMBL975727

O=C(NO)c1sc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.86
DBF4 Q9UBU7 5/20 0.86
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
CCNE1 P24864 1/20 0.58
CDK2 P24941 1/20 0.58
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
PTGDR2 Q9Y5Y4 2/20 0.53
POLB P06746 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL978378 0.93 CDC7 (1.00) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL977661 0.89 CDC7 (0.70) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL976858 0.87 CDC7 (0.76) CDC7DBF4ALDH1A1HPGDCCNE1
SCHEMBL976371 0.84 CDC7 (0.68) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL975863 0.84 CDC7 (0.68) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL14148621 0.84 ALDH1A1 (0.72) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL976446 0.83 CDC7 (0.62) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL974859 0.83 CDC7 (0.84) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL976273 0.81 CDC7 (0.60) CDC7DBF4ALDH1A1HPGDNPSR1
SCHEMBL975594 0.80 CDC7 (0.62) CDC7DBF4ALDH1A1HPGDNPSR1

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 12 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
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 CN 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
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 CDC7 2481/4885DBF4 1443/4885ALDH1A1 699/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885ALDH1A1 699/4885

“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.