SCHEMBL3765233

SCHEMBL3765233

CC(C)(C)OC(=O)Nc1cc(F)cc(F)c1N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.44
KCNQ4 P56696 4/20 0.40
KCNQ5 Q9NR82 4/20 0.40
RXFP1 Q9HBX9 1/20 0.38
AAK1 Q2M2I8 5/20 0.38
MAP4K4 O95819 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
CISD2 Q8N5K1 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL25829281 0.84 CYP17A1 (0.43) CYP17A1KCNQ4KCNQ5RXFP1AAK1
SCHEMBL29549489 0.79 HDAC1 (0.50) CYP17A1KCNQ4KCNQ5RXFP1AAK1
SCHEMBL6578598 0.79 HDAC1 (0.38) CYP17A1KCNQ4KCNQ5RXFP1AAK1
SCHEMBL29581478 0.79 HDAC1 (0.55) CYP17A1KCNQ4KCNQ5AAK1KCNQ3
SCHEMBL826795 0.79 HDAC1 (0.50) CYP17A1KCNQ4KCNQ5RXFP1AAK1
SCHEMBL197145 0.79 HDAC1 (0.55) CYP17A1KCNQ4KCNQ5AAK1KCNQ3
SCHEMBL22874399 0.79 HDAC1 (0.50) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL15614546 0.78 MAPT (0.51) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL857284 0.78 HTT (0.55) CYP17A1KCNQ4KCNQ5LMNAPOLB
SCHEMBL197226 0.78 AAK1 (0.43) CYP17A1KCNQ4KCNQ5RXFP1AAK1

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 5 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
CN-102459159-A Alkanoylamino benzamide aniline hdac inihibitor compounds GILEAD COLORADO INC 2012-05-16 CN 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 CYP17A1 1381/4885KCNQ4 3579/4885KCNQ5 2888/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 CYP17A1 1381/4885KCNQ4 3579/4885KCNQ5 2888/4885

“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.