SCHEMBL16804349

SCHEMBL16804349

CN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)NO)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.53
HDAC1 Q13547 15/20 0.50
HDAC4 P56524 2/20 0.50
KDM1A O60341 1/20 0.48
HDAC8 Q9BY41 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC3 O15379 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
MTOR P42345 1/20 0.41
KCNH2 Q12809 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
SCHEMBL16804242 0.90 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL16804261 0.89 HDAC1 (0.48) HDAC6HDAC1HDAC4KDM1AHDAC8
SCHEMBL18852704 0.89 HDAC6 (0.49) HDAC6HDAC1HDAC4KDM1AHDAC8
SCHEMBL18125602 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC4KDM1AHDAC8
SCHEMBL18852724 0.88 HDAC6 (0.50) HDAC6HDAC1HDAC4KDM1AHDAC8
SCHEMBL18108938 0.88 CHKA (0.47)
SCHEMBL18108947 0.87 HDAC1 (0.48) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108911 0.87 HDAC1 (0.60) HDAC6HDAC1HDAC4HDAC8HDAC2
SCHEMBL18108913 0.87 HDAC1 (0.46) HDAC6HDAC1HDAC4KDM1AHDAC8
SCHEMBL18125606 0.87 HDAC6 (0.46) HDAC6HDAC1HDAC4KDM1AHDAC8

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 HDAC6 4/4885HDAC1 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.