SCHEMBL21634135

SCHEMBL21634135

O=C(Cn1ccc(-c2nnc(C(F)(F)F)o2)cc1=O)c1coc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 13/20 0.58
▸ SLC27A1 Q6PCB7 1/20 0.38
▸ MAOB P27338 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL21650578 0.86 HDAC6 (0.44) HDAC6SLC27A1MAOBNPC1HTT
SCHEMBL23571162 0.85 HDAC6 (0.64) HDAC6SLC27A1MAOB
SCHEMBL21634089 0.82 HDAC6 (0.70) HDAC6HDAC1
SCHEMBL21634130 0.78 HDAC6 (0.61) HDAC6SMN1; SMN2
SCHEMBL21634094 0.77 HDAC6 (0.62) HDAC6NPC1RAB9A
SCHEMBL21634115 0.77 HDAC6 (0.64) HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL21634292 0.76 HDAC6 (0.71) HDAC6HDAC1
SCHEMBL21634103 0.75 HDAC6 (0.70) HDAC6HDAC1
SCHEMBL23571109 0.74 HDAC6 (0.69) HDAC6NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL23571110 0.74 HDAC6 (0.61) HDAC6SMN1; SMN2

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
US-11958844-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-04-16 — — US disclosed
EP-3827004-B1 4-(1,3,4-OXADIAZOLE-2-YL)PYRIDINE-2(1H)-ONE DERIVATIVES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS FOR THE TREATMENT OF E.G. INFECTIONS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-10-11 — — EP disclosed
US-20210188831-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2021-06-24 — — US disclosed
EP-3827004-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2021-06-02 — — EP disclosed
WO-2020022794-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-01-30 — — 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 (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-11958844-B2 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC3 HDAC6 1/4885SLC27A1 2018/4885MAOB 509/4885
US-20210188831-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC6, HDAC1, HDAC3 HDAC6 1/4885SLC27A1 2018/4885MAOB 509/4885

“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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