SCHEMBL22218345

SCHEMBL22218345

COC(=O)c1ccc(CN(C(=O)N2CCCC2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LTB4R2 Q9NPC1 3/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 3/20 0.43
HSP90AA1 P07900 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20236791 0.99 AR (0.53) ARALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20236142 0.98 AR (0.51) ARALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20236838 0.92 AR (0.47) ARALDH1A1RAB9AMEN1KMT2A
SCHEMBL20236082 0.92 ALDH1A1 (0.47) ARALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL22217880 0.91 HPGD (0.53) ARALDH1A1MEN1KMT2ALTB4R2
SCHEMBL22217774 0.91 LTB4R2 (0.53) ARALDH1A1MEN1KMT2ALTB4R2
SCHEMBL16211283 0.90 ALDH1A1 (0.53) ARALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL20236117 0.90 OPRD1 (0.50) ARALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL20236728 0.90 KMT2A (0.51) ARALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22218193 0.89 LTB4R2 (0.56) ARALDH1A1MEN1KMT2ALTB4R2

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 AR 677/4885ALDH1A1 152/4885RAB9A 3739/4885

“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.