SCHEMBL16804242

SCHEMBL16804242

CCN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.48
HDAC6 Q9UBN7 14/20 0.48
HDAC4 P56524 3/20 0.48
KCNH2 Q12809 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC9 Q9UKV0 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL18852704 0.91 HDAC6 (0.49) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18125602 0.90 HDAC6 (0.49) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL16804349 0.90 HDAC6 (0.53) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18108911 0.89 HDAC1 (0.60) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18108947 0.89 HDAC1 (0.48) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18108913 0.89 HDAC1 (0.46) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL16804348 0.88 HDAC1 (0.43) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL16804252 0.88 OPRD1 (0.41) CHRM1
SCHEMBL18108844 0.88 HDAC6 (0.45) HDAC1HDAC6HDAC4KCNH2HDAC8
SCHEMBL18108917 0.88 HDAC1 (0.60) HDAC1HDAC6HDAC4KCNH2HDAC8

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 4/4885HDAC4 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.