SCHEMBL22931784

SCHEMBL22931784

CNc1cnc(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c(C#N)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ AR P10275 8/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ RXRA P19793 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL22931787 0.86 MT-CO2 (0.37) TRPM8ARCNR1RXRANR1H2
SCHEMBL22931782 0.81 RXRA (0.33) CNR1CNR2RXRANR1H2NR1H3
SCHEMBL29806167 0.81 RXRA (0.33) CNR1CNR2RXRANR1H2NR1H3
SCHEMBL22931772 0.77 LIPE (0.37) RXRANR1H2NR1H3MAPTLMNA
SCHEMBL29420832 0.77 RXRA (0.32) ARRXRANR1H2NR1H3ALDH1A1
SCHEMBL29806156 0.77 LIPE (0.37) RXRANR1H2NR1H3MAPTLMNA
SCHEMBL22931775 0.77 RXRA (0.32) ARRXRANR1H2NR1H3ALDH1A1
SCHEMBL22931785 0.77 ABL1 (0.33) CNR1LMNA
SCHEMBL22932341 0.74 XDH (0.33) ARRXRANR1H2NR1H3ALDH1A1
SCHEMBL22931811 0.73 MT-CO2 (0.35) RXRANR1H2NR1H3LMNAPOLB

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 TRPM8 4081/4885AR 913/4885CNR1 100/4885

“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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