SCHEMBL3766485

SCHEMBL3766485

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(N)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.51
CYP17A1 P05093 1/20 0.49
HDAC1 Q13547 11/20 0.48
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
WDR5 P61964 1/20 0.43
HDAC3 O15379 5/20 0.42
NCOR2 Q9Y618 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCC1 P33527 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
SCHEMBL1705492 0.88 HDAC1 (0.51) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL1705984 0.85 HDAC1 (0.52) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL197036 0.83 CYP17A1 (0.54) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL30059279 0.83 CYP17A1 (0.54) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL26170484 0.82 CYP17A1 (0.48) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL25214971 0.80 CYP17A1 (0.46) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL1646305 0.79 AAK1 (0.47) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL30091846 0.79 HDAC1 (0.56) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL1708159 0.79 HDAC1 (0.46) HDAC2CYP17A1HDAC1KCNQ4KCNQ5
SCHEMBL14155932 0.78 CYP17A1 (0.58) CYP17A1WDR5ABCB1ABCC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885CYP17A1 1381/4885HDAC1 1/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885CYP17A1 1381/4885HDAC1 1/4885

“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.