SCHEMBL3766409

SCHEMBL3766409

CC(C)(C)OC(=O)Nc1cc(F)c(-c2ccc(F)cc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 13/20 0.51
HDAC1 Q13547 12/20 0.51
CYP17A1 P05093 1/20 0.43
KCNQ4 P56696 2/20 0.42
KCNQ5 Q9NR82 2/20 0.42
AAK1 Q2M2I8 1/20 0.41
GRM2 Q14416 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
HDAC3 O15379 3/20 0.40

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
SCHEMBL7141564 0.89 HDAC2 (0.45) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL7141577 0.88 HDAC2 (0.44) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL7145392 0.87 HDAC2 (0.44) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL7143512 0.87 AAK1 (0.45) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL30059279 0.86 CYP17A1 (0.54) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL197036 0.86 CYP17A1 (0.54) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL5868883 0.84 AAK1 (0.45) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL5868867 0.84 AAK1 (0.45) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL7145888 0.83 KCNQ4 (0.44) HDAC2HDAC1CYP17A1KCNQ4KCNQ5
SCHEMBL197145 0.83 HDAC1 (0.55) HDAC2HDAC1CYP17A1KCNQ4KCNQ5

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 5/4885HDAC1 1/4885CYP17A1 1381/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 HDAC2 5/4885HDAC1 1/4885CYP17A1 1381/4885

“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.