SCHEMBL16804308

SCHEMBL16804308

O=C(NO)c1ccc(Cn2ccc3cc(C4CCN(Cc5noc(C(F)(F)F)n5)CC4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC3 O15379 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
HDAC6 Q9UBN7 10/20 0.42
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC10 Q969S8 2/20 0.40
EGLN1 Q9GZT9 1/20 0.38
DRD4 P21917 1/20 0.37

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
SCHEMBL18108972 0.90 HDAC4 (0.39) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL18108846 0.88 DRD4 (0.48) HDAC6HDAC1HDAC8EGLN1DRD4
SCHEMBL18109116 0.85 HDAC6 (0.44) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL16804299 0.84 HDAC1 (0.50) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL20525546 0.84 HDAC6 (0.36) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL18108937 0.83 HDAC6 (0.41) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL18108951 0.83 KDM4E (0.46) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL18108984 0.83 DRD4 (0.48) HDAC3HDAC6HDAC1HDAC2HDAC8
SCHEMBL16804314 0.83 HDAC1 (0.54) HDAC4HDAC9HDAC3HDAC7HDAC5
SCHEMBL16804321 0.83 HDAC6 (0.45) HDAC4HDAC9HDAC3HDAC7HDAC5

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-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
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 HDAC4 6/4885HDAC9 7/4885HDAC3 9/4885

“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.