SCHEMBL975863

SCHEMBL975863

O=C(NO)c1sc(-c2cccs2)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.68
DBF4 Q9UBU7 4/20 0.68
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 3/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
HDAC1 Q13547 3/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL975727 0.84 CDC7 (0.86) CDC7DBF4KDM4EALDH1A1GAA
SCHEMBL978378 0.81 CDC7 (1.00) CDC7DBF4KDM4EALDH1A1GAA
SCHEMBL976858 0.76 CDC7 (0.76) CDC7DBF4KDM4EALDH1A1PPARG
SCHEMBL976371 0.76 CDC7 (0.68) CDC7DBF4KDM4EALDH1A1GAA
SCHEMBL14148653 0.76 CDC7 (0.61) CDC7DBF4KDM4EALDH1A1GAA
SCHEMBL977661 0.75 CDC7 (0.70) CDC7DBF4ALDH1A1RXFP1MAPT
SCHEMBL27920107 0.75 KDM4E (0.67) CDC7DBF4KDM4EALDH1A1GAA
SCHEMBL975594 0.75 CDC7 (0.62) CDC7DBF4ALDH1A1GAAHTT
SCHEMBL14148530 0.73 KDM4E (0.52) KDM4EALDH1A1GAAPPARGNCOA2
SCHEMBL14148622 0.73 CDC7 (0.59) CDC7DBF4KDM4EALDH1A1GAA

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
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US 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 1443/4885KDM4E 165/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885KDM4E 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.