SCHEMBL22932348

SCHEMBL22932348

CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)c1nccc(Cl)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 1/20 0.45
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FNTA P49354 5/20 0.35
▸ FNTB P49356 5/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ATR Q13535 1/20 0.33
▸ LMNA P02545 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
SCHEMBL22931811 0.89 MT-CO2 (0.35) MT-CO2GAAALDH1A1HPGDATR
SCHEMBL22932346 0.81 MT-CO2 (0.37) MT-CO2GAAALDH1A1HPGDFNTA
SCHEMBL29806193 0.81 GAA (0.40) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL22931813 0.78 MT-CO2 (0.33) MT-CO2GAAALDH1A1HPGDMEN1
SCHEMBL22931809 0.75 KDM4E (0.40) MT-CO2GAAALDH1A1HPGDMEN1
SCHEMBL27773374 0.70 MT-CO2 (0.58) MT-CO2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL22931787 0.69 MT-CO2 (0.37) MT-CO2GAALMNARORC
SCHEMBL551649 0.67 MT-CO2 (0.53) MT-CO2GAAALDH1A1MEN1KMT2A
SCHEMBL1303430 0.67 SYK (0.36) MT-CO2ALDH1A1HTTMAPK1KDM4E
SCHEMBL2889485 0.67 MT-CO2 (0.43) MT-CO2ALDH1A1MEN1KMT2ACYP1A2

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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 — — US 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 MT-CO2 1046/4885GAA 4828/4885ALDH1A1 559/4885

“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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