SCHEMBL3760018

SCHEMBL3760018

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
PTPN1 P18031 2/20 0.43
CYP17A1 P05093 2/20 0.42
FAAH O00519 1/20 0.41
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
CD274 Q9NZQ7 1/20 0.41
HDAC3 O15379 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GHSR Q92847 1/20 0.40
BDKRB1 P46663 1/20 0.39
HDAC2 Q92769 4/20 0.39
NAMPT P43490 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1706877 0.90 HDAC1 (0.46) HDAC1FAAHKCNQ4KCNQ5HDAC3
SCHEMBL1708159 0.88 HDAC1 (0.46) HDAC1PTPN1CYP17A1KCNQ4KCNQ5
SCHEMBL3769556 0.87 HDAC1 (0.48) HDAC1CYP17A1FAAHCD274HDAC3
SCHEMBL26170484 0.82 CYP17A1 (0.48) HDAC1PTPN1CYP17A1KCNQ4KCNQ5
SCHEMBL1705492 0.80 HDAC1 (0.51) HDAC1PTPN1CYP17A1KCNQ4KCNQ5
SCHEMBL3770952 0.80 CA1 (0.43) HDAC1FAAHCD274HDAC6GHSR
SCHEMBL14057611 0.79 F10 (0.45) HDAC1PTPN1CYP17A1KCNQ4KCNQ5
SCHEMBL25221573 0.78 RORC (0.41) HDAC1PTPN1CYP17A1KCNQ4KCNQ5
SCHEMBL3771529 0.78 WDR5 (0.42) HDAC1PTPN1CYP17A1CD274HDAC3
SCHEMBL26170486 0.78 CYP17A1 (0.42) HDAC1CYP17A1KCNQ4KCNQ5HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE 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 (1 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 HDAC1 1/4885PTPN1 4306/4885CYP17A1 1624/4885

“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.