SCHEMBL976547

SCHEMBL976547

O=C(NO)c1cn(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.74
CA12 O43570 1/20 0.74
CA9 Q16790 1/20 0.74
TP53 P04637 1/20 0.74
MAPT P10636 4/20 0.68
KMT2A Q03164 3/20 0.66
LMNA P02545 3/20 0.66
KDM5B Q9UGL1 2/20 0.66
MEN1 O00255 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 1/20 0.66
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
PLA2G1B P04054 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL977581 0.90 MEN1 (0.69) AURKACA12CA9TP53MAPT
SCHEMBL6256569 0.87 AURKA (0.72) AURKATP53MAPTKMT2ALMNA
SCHEMBL23928515 0.86 AURKA (0.79) AURKACA12CA9TP53MAPT
SCHEMBL22095269 0.85 AURKA (1.00) AURKATP53MAPTKMT2ALMNA
SCHEMBL4501557 0.84 ALDH1A1 (0.82) AURKACA12CA9TP53MAPT
SCHEMBL974862 0.83 CA12 (0.61) AURKACA12CA9TP53MAPT
SCHEMBL14132504 0.83 TP53 (0.73) AURKATP53MAPTKMT2ALMNA
SCHEMBL974435 0.82 CA12 (0.57) AURKACA12CA9TP53MAPT
SCHEMBL5812722 0.81 MAPT (0.67) AURKACA12CA9TP53MAPT
SCHEMBL6259170 0.81 CA12 (0.75) AURKACA12CA9TP53MAPT

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
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 AURKA 1437/4885CA12 1467/4885CA9 436/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 AURKA 1437/4885CA12 1467/4885CA9 436/4885

“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.