SCHEMBL18108980

SCHEMBL18108980

CC(C)(C)OC(=O)N1CCC(c2cnc3c(ccn3Cc3ccc(C(=O)NO)cc3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.45
▸ HDAC6 Q9UBN7 9/20 0.45
▸ HDAC8 Q9BY41 3/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP10 P09238 1/20 0.40
▸ MMP8 P22894 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
SCHEMBL18108932 0.91 MAPT (0.45) HDAC1HDAC6GPR119WNT3ADDB1
SCHEMBL18109025 0.87 HDAC6 (0.41) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL16804350 0.86 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL18108870 0.85 HDAC6 (0.41) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL18109030 0.85 SMN1; SMN2 (0.50) HDAC1HDAC6HDAC8GPR119WNT3A
SCHEMBL18126839 0.84 HDAC6 (0.44) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL18108937 0.84 HDAC6 (0.41) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL16804443 0.84 HDAC6 (0.41) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL18125620 0.84 EGLN1 (0.49) HDAC1HDAC6HDAC8HDAC11HDAC4
SCHEMBL18125611 0.83 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC11HDAC4

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 6 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

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 4/4885HDAC8 10/4885

“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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