SCHEMBL976371

SCHEMBL976371

O=C(NO)c1sc(-c2ccccn2)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 5/20 0.59
GAA P10253 1/20 0.59
ALDH1A1 P00352 5/20 0.57
APOBEC3G Q9HC16 1/20 0.57
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51

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
SCHEMBL16039727 0.86 KDM4E (0.68) CDC7DBF4KDM4EGAAALDH1A1
SCHEMBL975727 0.84 CDC7 (0.86) CDC7DBF4KDM4EGAAALDH1A1
SCHEMBL16038677 0.81 KDM4E (0.49) CDC7DBF4KDM4EGAAALDH1A1
SCHEMBL978378 0.81 CDC7 (1.00) CDC7DBF4KDM4EGAAALDH1A1
SCHEMBL976858 0.79 CDC7 (0.76) CDC7DBF4KDM4EALDH1A1KMT2A
SCHEMBL16037743 0.78 LMNA (0.74) CDC7DBF4KDM4EALDH1A1APOBEC3G
SCHEMBL11463722 0.77 IDO1 (0.57) KDM4EGAAALDH1A1APOBEC3GKMT2A
SCHEMBL975863 0.76 CDC7 (0.68) CDC7DBF4KDM4EGAAALDH1A1
SCHEMBL977661 0.75 CDC7 (0.70) CDC7DBF4ALDH1A1KMT2AHDAC6
SCHEMBL978340 0.73 ADORA3 (0.78) CDC7DBF4KDM4EALDH1A1KMT2A

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 9 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

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.