SCHEMBL16804173

SCHEMBL16804173

O=C(NO)c1ccc(Cn2ccc3ccc(C4CCN(Cc5cccnc5)CC4)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
HDAC1 Q13547 7/20 0.46
HDAC4 P56524 4/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 4/20 0.46
EPAS1 Q99814 4/20 0.46
CACNA1I Q9P0X4 1/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC2 Q92769 5/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC3 O15379 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45
SLC6A5 Q9Y345 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
CXCR4 P61073 1/20 0.43
CHRM4 P08173 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
SCHEMBL16804184 0.89 DRD4 (0.47) DRD4HIF1AEPAS1CACNA1ISLC6A5
SCHEMBL18852684 0.85 SCN9A (0.43) DRD4CACNA1ISIGMAR1CXCR4SCN9A
SCHEMBL18109024 0.85 DRD4 (0.48) DRD4HDAC1HDAC4KCNH2HIF1A
SCHEMBL18109013 0.82 SCN9A (0.50) DRD4HDAC1HDAC4KCNH2HIF1A
SCHEMBL16804176 0.81 HDAC6 (0.43) HDAC1HDAC4KCNH2HDAC6HDAC2
SCHEMBL20525334 0.81 PARP1 (0.43) DRD4CACNA1ISIGMAR1CXCR4SCN9A
SCHEMBL16804321 0.76 HDAC6 (0.45) HDAC1HDAC4KCNH2HIF1AEPAS1
SCHEMBL16804314 0.76 HDAC1 (0.54) HDAC1HDAC4KCNH2HDAC6HDAC2
SCHEMBL1608525 0.75 HDAC6 (0.48) HDAC1HDAC4HDAC6HDAC2HDAC8
SCHEMBL18108940 0.75 HDAC6 (0.47) HDAC1HDAC4KCNH2HDAC6HDAC2

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 DRD4 1916/4885HDAC1 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.