SCHEMBL22217880

SCHEMBL22217880

COC(=O)c1ccc(CN(C(=O)N2CCCN(C)CC2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
CHKA P35790 1/20 0.51
LTB4R2 Q9NPC1 2/20 0.50
AR P10275 1/20 0.48
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM1 P11229 3/20 0.43
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL22217774 0.96 LTB4R2 (0.53) HPGDCHKALTB4R2ARLMNA
SCHEMBL20236142 0.93 AR (0.51) CHKALTB4R2ARL3MBTL1ALDH1A1
SCHEMBL22218345 0.91 AR (0.53) LTB4R2ARL3MBTL1ALDH1A1MEN1
SCHEMBL20236838 0.90 AR (0.47) HPGDLTB4R2ARALDH1A1MEN1
SCHEMBL20236791 0.90 AR (0.53) LTB4R2ARALDH1A1MEN1KMT2A
SCHEMBL20236182 0.89 LTB4R2 (0.53) CHKALTB4R2LMNATDP1L3MBTL1
SCHEMBL20236082 0.88 ALDH1A1 (0.47) LTB4R2ARL3MBTL1ALDH1A1MEN1
SCHEMBL22218814 0.87 LTB4R2 (0.50) CHKALTB4R2LMNATDP1L3MBTL1
SCHEMBL20236728 0.86 KMT2A (0.51) HPGDLTB4R2ARL3MBTL1ALDH1A1
SCHEMBL16211450 0.85 ALDH1A1 (0.50) HPGDCHKAARLMNATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331864-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2021-11-03 EP disclosed
CN-108137518-B 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2021-08-31 CN disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 US disclosed
US-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-07-21 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-10717716-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC1, HDAC5, HDAC2 HPGD 516/4885CHKA 2200/4885LTB4R2 4544/4885

“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.