SCHEMBL22716822

SCHEMBL22716822

CNc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GPR174 Q9BXC1 9/20 0.54
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.48
MET P08581 1/20 0.46
CYP2D6 P10635 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
SCHEMBL30258598 1.00 MAPT (0.57) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL24480836 0.91 GPR174 (0.50) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9303323 0.89 MAPT (0.54) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9301599 0.89 MAPT (0.60) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL521293 0.88 MAPT (0.63) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL30258446 0.88 MAPT (0.63) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22724915 0.86 MAPT (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL31397429 0.86 GPR174 (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL31397398 0.86 GPR174 (0.52) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL30965583 0.85 MAPT (0.77) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976604-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) 2026-01-21 EP disclosed
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2023-03-23 US disclosed
EP-3976604-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2022-04-06 EP disclosed
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 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 (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-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC2 MAPT 974/4885ALDH1A1 154/4885SMN1; SMN2 2013/4885

“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.