SCHEMBL976937

SCHEMBL976937

COc1ccc(-n2cc(C(=O)NO)c(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.74
CA9 Q16790 8/20 0.74
AURKA O14965 7/20 0.73
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
ATM Q13315 1/20 0.61
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
CDK1 P06493 1/20 0.57
CDK4 P11802 1/20 0.57
CDK2 P24941 1/20 0.57
CDK7 P50613 1/20 0.57
CDK6 Q00534 1/20 0.57
CDK5 Q00535 1/20 0.57

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
SCHEMBL977618 0.88 L3MBTL1 (0.79) CA12CA9AURKAL3MBTL1MEN1
SCHEMBL12922060 0.86 CA12 (0.73) CA12CA9AURKAMEN1KMT2A
SCHEMBL6692762 0.78 AURKA (1.00) AURKAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL12948505 0.77 PTGS2 (0.80) CA12CA9AURKAL3MBTL1MEN1
SCHEMBL6681990 0.76 L3MBTL1 (1.00) AURKAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL976547 0.75 AURKA (0.74) CA12CA9AURKAL3MBTL1MEN1
SCHEMBL22095118 0.74 MAPT (1.00) AURKAL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL974862 0.74 CA12 (0.61) CA12CA9AURKAMEN1KMT2A
SCHEMBL12922061 0.74 AURKA (0.67) CA12CA9AURKAL3MBTL1MEN1
SCHEMBL22095232 0.73 AURKA (0.90) AURKAMEN1KMT2AALDH1A1MAPT

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 8 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
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 CA12 1467/4885CA9 436/4885AURKA 1437/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CA12 1467/4885CA9 436/4885AURKA 1437/4885

“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.