SCHEMBL16804175

SCHEMBL16804175

O=C(NO)c1ccc(Cn2ccc3cc(N4CCN(Cc5ccccc5)CC4)cnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.58
HDAC4 P56524 8/20 0.58
KCNH2 Q12809 2/20 0.58
HDAC6 Q9UBN7 11/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC10 Q969S8 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC3 O15379 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18108986 0.92 HDAC1 (0.52) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18108974 0.91 HDAC1 (0.47) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18108851 0.89 HDAC1 (0.45) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18108882 0.88 HDAC1 (0.45) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL16804316 0.88 ALDH1A1 (0.49) KDM4EMAPTALDH1A1RAB9ATP53
SCHEMBL18126844 0.87 HDAC6 (0.53) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18126842 0.86 HDAC6 (0.48) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL18108963 0.85 HDAC6 (0.43) HDAC1HDAC4KCNH2HDAC6HDAC8
SCHEMBL16804277 0.85 HDAC6 (0.52) HDAC1HDAC4HDAC6HDAC8
SCHEMBL18126845 0.85 SMN1; SMN2 (0.53) HDAC1HDAC6HDAC8HDAC2HDAC3

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 2/4885HDAC4 6/4885KCNH2 2788/4885

“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.