SCHEMBL25213965

SCHEMBL25213965

COC(=O)c1ccc(C(CCNS(C)(=O)=O)N=[N+]=[N-])nc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ S1PR4 O95977 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL25267384 0.83 HPGD (0.43) KDM4EHPGDSMN1; SMN2HSD17B10MAPT
SCHEMBL26227065 0.82 ALDH1A1 (0.35) KDM4EHPGDMAPTALDH1A1
SCHEMBL25246021 0.75 MAPK1 (0.49) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL25385533 0.72 GFER (0.39) MAPK1KDM4EL3MBTL1SMN1; SMN2MAPT
SCHEMBL25387342 0.71 HDAC6 (0.53) —
SCHEMBL18879402 0.68 MAPK1 (0.51) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL18672434 0.67 MAPK1 (0.54) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL9957096 0.67 MAPK1 (0.50) MAPK1KDM4EL3MBTL1HPGDS1PR4
SCHEMBL179293 0.66 MAPK1 (0.61) MAPK1KDM4EL3MBTL1S1PR4S1PR3
SCHEMBL31601530 0.66 MAPK1 (0.53) MAPK1KDM4EL3MBTL1S1PR4S1PR3

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-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
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
CN-116157398-A 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 (HDAC 6) for the treatment of, for example, peripheral neuropathy 意大发马克股份公司 2023-05-23 — — CN 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 MAPK1 2380/4885KDM4E 562/4885L3MBTL1 1844/4885

“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.

Send feedback