SCHEMBL20210693

SCHEMBL20210693

O=C(O)c1ccc(CN(C(=O)C2CCCCC2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.57
CNR1 P21554 1/20 0.57
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.54
NR1H4 Q96RI1 7/20 0.53
ALDH1A1 P00352 1/20 0.52
ACHE P22303 1/20 0.50
LTB4R2 Q9NPC1 1/20 0.49
ATM Q13315 1/20 0.47
PTGES O14684 1/20 0.46
KMT2A Q03164 1/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR5 Q9H1C0 2/20 0.46
SRD5A2 P31213 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL18464191 0.87 CNR2 (0.53) CNR2CNR1LMNASMN1; SMN2HTT
SCHEMBL20218939 0.86 CNR2 (0.75) CNR2CNR1LMNASMN1; SMN2HTT
SCHEMBL18464205 0.86 NR1H4 (0.58) CNR2CNR1LMNASMN1; SMN2NR1H4
SCHEMBL18464190 0.81 CNR2 (0.47) CNR2CNR1LMNASMN1; SMN2HTT
SCHEMBL18664784 0.78 NR1H4 (0.65) NR1H4TDP1
SCHEMBL29403447 0.78 NR1H4 (0.65) NR1H4TDP1
SCHEMBL20518768 0.77 NR1H4 (0.55) LMNASMN1; SMN2NR1H4TDP1
SCHEMBL29407024 0.77 NR1H4 (0.55) LMNASMN1; SMN2NR1H4TDP1
SCHEMBL7141111 0.77 HTT (0.63) CNR2CNR1LMNASMN1; SMN2HTT
SCHEMBL157266 0.77 HTT (0.63) CNR2CNR1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026056-B 1,3, 4-oxadiazole amide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions thereof 株式会社钟根堂 2021-08-03 CN disclosed
EP-3330259-B1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2020-06-10 EP disclosed
US-10584117-B2 1,3,4-oxadiazole amide derivative compound as histone deacetylase 6 inhibitor, and pharmaceutical composition containing same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-03-10 US disclosed
US-20180215743-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-08-02 US disclosed
EP-3330259-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-06 EP 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 (2 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-10584117-B2 1,3,4-oxadiazole amide derivative compound as histone deacetylase 6 inhibitor, and pharmaceutical composition containing same HDAC1, HDAC6, HDAC2 CNR2 4557/4885CNR1 4563/4885LMNA 3154/4885
US-20180215743-A1 1,3,4-OXADIAZOLE AMIDE DERIVATIVE COMPOUND AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HDAC1, HDAC6, HDAC2 CNR2 4557/4885CNR1 4563/4885LMNA 3154/4885

“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.