SCHEMBL1706877

SCHEMBL1706877

CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ccc(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 3/20 0.44
MGLL Q99685 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FAAH O00519 1/20 0.41
HDAC3 O15379 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
KCNH2 Q12809 1/20 0.39
RORC P51449 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 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
SCHEMBL3760018 0.90 HDAC1 (0.43) HDAC1HDAC2FAAHHDAC3NCOR2
SCHEMBL7772726 0.86 HDAC1 (0.61) HDAC1HDAC2MGLLHDAC3KCNH2
SCHEMBL1708159 0.80 HDAC1 (0.46) HDAC1HDAC2HDAC3NCOR2KCNQ4
SCHEMBL3769556 0.78 HDAC1 (0.48) HDAC1HDAC2FAAHHDAC3KCNH2
SCHEMBL8223742 0.77 RORC (0.46) HDAC1HDAC2MGLLRORCCTSL
SCHEMBL29129126 0.76 KDM1A (0.54) HDAC1HDAC2MEN1KMT2ASMN1; SMN2
SCHEMBL26170484 0.75 CYP17A1 (0.48) HDAC1HDAC2MEN1KMT2ASMN1; SMN2
SCHEMBL7771584 0.75 HDAC1 (0.64) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL7772787 0.74 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC6
SCHEMBL17472423 0.74 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC6

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
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
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP disclosed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO 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 1/4885HDAC2 4/4885MGLL 1860/4885

“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.