SCHEMBL976455

SCHEMBL976455

O=C(NO)c1sc(-c2ccc3c(c2)CCO3)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.57
DBF4 Q9UBU7 4/20 0.57
PLA2G10 O15496 1/20 0.51
CHEK1 O14757 6/20 0.50
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DNM1L O00429 1/20 0.44
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CLK1 P49759 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 2/20 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
SCHEMBL976273 0.84 CDC7 (0.60) CDC7DBF4HDAC3HDAC1HDAC2
SCHEMBL975727 0.79 CDC7 (0.86) CDC7DBF4HDAC1HDAC8HDAC6
SCHEMBL1328083 0.75 PLA2G10 (0.60) PLA2G10CHEK1RAB9ANPC1SMN1; SMN2
SCHEMBL19029216 0.74 HDAC6 (0.62) PLA2G10HDAC3HDAC1HDAC2HDAC8
SCHEMBL976446 0.74 CDC7 (0.62) CDC7DBF4HDAC3HDAC1HDAC2
SCHEMBL28925369 0.74 MAPT (0.56) PLA2G10RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3828856 0.73 FABP4 (0.56) PLA2G10CHEK1CCNE1CDK2KDM4E
SCHEMBL978378 0.73 CDC7 (1.00) CDC7DBF4HDAC1HDAC8HDAC6
SCHEMBL977661 0.72 CDC7 (0.70) CDC7DBF4HDAC6RAB9ANPC1
SCHEMBL4489488 0.71 FABP4 (0.51) PLA2G10CHEK1RAB9ANPC1CCNE1

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 1443/4885PLA2G10 4733/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CDC7 2481/4885DBF4 1443/4885PLA2G10 4733/4885

“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.