SCHEMBL25215318

SCHEMBL25215318

CC(C)(C)C#COC(=O)N1CCC2(CC1)Nc1ccccc1NC2=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 8/20 0.41
▸ DDB1 Q16531 1/20 0.37
▸ SCN5A Q14524 2/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ NR1H2 P55055 3/20 0.33
▸ RXRA P19793 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ OTUD7B Q6GQQ9 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL26226526 0.82 MAPK1 (0.48) CRBNDDB1NR1H2RXRANR1H3
SCHEMBL29022614 0.78 CRBN (0.48) CRBNDDB1SCN5ASCN9AOTUD7B
SCHEMBL30552354 0.75 CRBN (0.56) CRBNDDB1SCN5ASCN9AOTUD7B
SCHEMBL30552358 0.75 CRBN (0.56) CRBNDDB1SCN5ASCN9AOTUD7B
SCHEMBL17350152 0.68 PDE7A (0.42) CRBNMAPK1MEN1KMT2AHSD17B10
SCHEMBL22792490 0.68 MAPK1 (0.47) MAPK1MAPT
SCHEMBL26225765 0.67 MAPT (0.47) CRBNNR1H2RXRANR1H3MAPK1
SCHEMBL25386692 0.67 NR1H2 (0.48) NR1H2RXRANR1H3MAPK1
SCHEMBL19225163 0.66 PDE7A (0.47) CRBNMAPK1MEN1KMT2A
SCHEMBL10758073 0.64 PDE7A (0.54) MAPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
EP-4192830-A1 2-(4-((5-(BENZO[B]THIOPHEN-3-YL)-1H-TETRAZOL-1-YL)METHYL)PHENYL)-5-(DIFLUOROMETHYL)-1,3,4-OXADIAZOLE DERIVATIVES AND SIMILAR COMPOUNDS AS SELECTIVE INHIBITORS OF HISTONE DEACETYLASE 6 (HDAC6) FOR USE IN TREATING E.G. PERIPHERAL NEUROPATHY Italfarmaco SpA (IT) 2023-06-14 — — 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 (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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CRBN 904/4885DDB1 2044/4885SCN5A 2696/4885

“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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