SCHEMBL16804396

SCHEMBL16804396

O=C(NO)c1ccc(Cn2ccc3c(C4CCN(Cc5ccccc5F)CC4)ccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.44
HDAC6 Q9UBN7 8/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC3 O15379 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
NCOR2 Q9Y618 2/20 0.44
HDAC4 P56524 5/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
KCNH2 Q12809 2/20 0.42
TP53 P04637 2/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
SIGMAR1 Q99720 4/20 0.42
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL18125622 0.90 HDAC6 (0.55) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804400 0.89 SCN5A (0.43) KCNH2SCN5ASCN9ASIGMAR1
SCHEMBL16804423 0.87 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804368 0.86 HDAC1 (0.45) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804262 0.86 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18108988 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18109016 0.84 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18108939 0.84 HDAC6 (0.57) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16804049 0.84 HDAC6 (0.46) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL18109013 0.84 SCN9A (0.50) HDAC1HDAC6HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP 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-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 HDAC1 2/4885HDAC6 4/4885HDAC8 10/4885

“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.