SCHEMBL16804286

SCHEMBL16804286

CC(C)(C)OC(=O)NC1CCN(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ MET P08581 1/20 0.41
▸ SUV39H2 Q9H5I1 3/20 0.41
▸ HDAC6 Q9UBN7 9/20 0.41
▸ HDAC10 Q969S8 5/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ HDAC8 Q9BY41 6/20 0.39
▸ HDAC1 Q13547 6/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL16804317 0.91 CKS1B (0.43) CKS1BSKP1SKP2NAMPTMET
SCHEMBL18109083 0.87 HDAC6 (0.43) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL18127035 0.87 HDAC6 (0.42) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL18109030 0.85 SMN1; SMN2 (0.50) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL16804205 0.84 HDAC6 (0.45) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL16804167 0.79 HDAC6 (0.42) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL18108963 0.79 HDAC6 (0.43) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL16804277 0.79 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC4
SCHEMBL18108882 0.78 HDAC1 (0.45) HDAC6HDAC10HDAC8HDAC1HDAC11
SCHEMBL18108980 0.77 HDAC1 (0.45) HDAC6HDAC10HDAC8HDAC1HDAC11

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 3 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-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 CKS1B 568/4885SKP1 399/4885SKP2 1014/4885

“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.

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