SCHEMBL22931809

SCHEMBL22931809

COc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ LIPE Q05469 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GFER P55789 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAK O14976 1/20 0.31
▸ RIPK2 O43353 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
SCHEMBL22931813 0.92 MT-CO2 (0.33) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL22931811 0.87 MT-CO2 (0.35) ALDH1A1GAAMT-CO2LIPEHPGD
SCHEMBL22931772 0.78 LIPE (0.37) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL29806156 0.78 LIPE (0.37) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL22932348 0.75 MT-CO2 (0.45) KDM4EKMT2AMEN1ALDH1A1MAPK1
SCHEMBL22931775 0.74 RXRA (0.32) ALDH1A1L3MBTL1MT-CO2LIPERXRA
SCHEMBL29420832 0.74 RXRA (0.32) ALDH1A1L3MBTL1MT-CO2LIPERXRA
SCHEMBL22932341 0.73 XDH (0.33) KMT2AMEN1ALDH1A1MT-CO2LIPE
SCHEMBL22931787 0.73 MT-CO2 (0.37) GAAMT-CO2LIPELMNARXRA
SCHEMBL22932346 0.72 MT-CO2 (0.37) KDM4EALDH1A1MAPK1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — US disclosed
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN disclosed
WO-2021018869-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2021-02-04 — — 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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER OXER1, CBR3, CCNY KDM4E 3476/4885KMT2A 2986/4885MEN1 865/4885

“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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