SCHEMBL16804166

SCHEMBL16804166

CC(C)(F)C(=O)N1CCC(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.43
HDAC1 Q13547 13/20 0.43
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 6/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPK7 Q13164 1/20 0.39
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
BTK Q06187 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL16804392 0.90 MAPK7 (0.43) MAPK7FGFR1FGFR4
SCHEMBL16804186 0.88 HDAC6 (0.43) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18109115 0.86 HDAC6 (0.47) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108920 0.86 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108981 0.85 HDAC6 (0.44) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108842 0.84 HDAC6 (0.45) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108848 0.83 HDAC6 (0.42) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108939 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL16804049 0.82 HDAC6 (0.46) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18125622 0.82 HDAC6 (0.55) HDAC6HDAC1HDAC4HDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 WO 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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 HDAC6 4/4885HDAC1 2/4885HDAC4 6/4885

“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.