SCHEMBL976858

SCHEMBL976858

O=C(NO)c1sc(-c2cccnc2)nc1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.76
DBF4 Q9UBU7 5/20 0.76
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 3/20 0.61
HDAC6 Q9UBN7 3/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 3/20 0.54
PPARG P37231 3/20 0.54
NCOA2 Q15596 3/20 0.54
NCOA1 Q15788 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
NCOA3 Q9Y6Q9 2/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53

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
SCHEMBL975727 0.87 CDC7 (0.86) CDC7DBF4HDAC6KDM4EALDH1A1
SCHEMBL12335736 0.87 KMT2A (0.67) CDC7DBF4CYP1A2CYP3A4KDM4E
SCHEMBL978378 0.86 CDC7 (1.00) CDC7DBF4HDAC6KDM4EALDH1A1
SCHEMBL12335590 0.85 KMT2A (0.64) CDC7DBF4CYP1A2CYP3A4KDM4E
SCHEMBL976371 0.79 CDC7 (0.68) CDC7DBF4HDAC6KDM4EALDH1A1
SCHEMBL977661 0.78 CDC7 (0.70) CDC7DBF4HDAC6ALDH1A1MAPT
SCHEMBL11466268 0.77 ALOX5 (0.69) CDC7DBF4CYP1A2CYP3A4KDM4E
SCHEMBL975863 0.76 CDC7 (0.68) CDC7DBF4HDAC6KDM4EALDH1A1
SCHEMBL11389733 0.76 CYP1A2 (1.00) CDC7DBF4CYP1A2CYP3A4HDAC6
SCHEMBL15626267 0.74 CYP1A2 (0.76) CDC7DBF4CYP1A2CYP3A4HDAC6

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 CDC7 2481/4885DBF4 1443/4885CYP1A2 1295/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885CYP1A2 1295/4885

“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.