SCHEMBL16804390

SCHEMBL16804390

COc1ccc(CN2CCC(c3ccnc4c3ccn4Cc3ccc(C(=O)NO)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.52
HDAC6 Q9UBN7 11/20 0.49
HDAC8 Q9BY41 5/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
TSHR P16473 1/20 0.45
KDM1A O60341 1/20 0.45
DRD4 P21917 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16804168 0.92 HDAC1 (0.50) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL16804034 0.91 KDM4E (0.46) HDAC1BCHEACHEOPRM1TSHR
SCHEMBL18108939 0.90 HDAC6 (0.57) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL18125622 0.89 HDAC6 (0.55) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL18109016 0.88 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL16804423 0.87 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL18108920 0.86 HDAC6 (0.45) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL16804049 0.86 HDAC6 (0.46) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL18109013 0.85 SCN9A (0.50) HDAC1HDAC6HDAC8HDAC11HDAC2
SCHEMBL18108981 0.85 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC11HDAC2

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 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.