SCHEMBL976945

SCHEMBL976945

O=C(NO)c1sc(C2CCN(Cc3ccncc3)CC2)nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.55
DBF4 Q9UBU7 2/20 0.55
SIGMAR1 Q99720 1/20 0.47
AKT1 P31749 3/20 0.45
AKT2 P31751 3/20 0.45
AKT3 Q9Y243 1/20 0.45
CHRM4 P08173 1/20 0.43
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL975777 0.94 CDC7 (0.48) CDC7DBF4AKT1AKT2CHRM4
SCHEMBL12922068 0.79 CDC7 (0.47) CDC7DBF4NPC1ALDH1A1MAPK1
SCHEMBL974949 0.79 CDC7 (0.46) CDC7DBF4NPC1ALDH1A1MAPK1
SCHEMBL975197 0.79 UBE2M (0.51) CDC7DBF4HDAC4HDAC1HDAC3
SCHEMBL975616 0.78 CDC7 (0.46) CDC7DBF4MEN1ALDH1A1KMT2A
SCHEMBL975813 0.77 L3MBTL1 (0.48) CDC7DBF4MEN1NPC1ALDH1A1
SCHEMBL974223 0.77 SMN1; SMN2 (0.48) CDC7DBF4HDAC4HDAC1HDAC3
SCHEMBL978375 0.75 ADRA2A (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL15472697 0.73 HDAC4 (0.49) SIGMAR1HDAC4HDAC1HDAC3HDAC7
SCHEMBL978378 0.72 CDC7 (1.00) CDC7DBF4HDAC1HDAC8HDAC6

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 1443/4885SIGMAR1 1468/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885SIGMAR1 1468/4885

“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.