SCHEMBL22931785

SCHEMBL22931785

CNc1cnc(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c(-c2noc(=O)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ RARB P10826 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ CCKBR P32239 1/20 0.30

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
SCHEMBL22931773 0.79 LIPE (0.33) CNR1RARBHDAC1HDAC8HDAC6
SCHEMBL22932338 0.77 CNR1 (0.32) CNR1RARBHDAC1HDAC8HDAC6
SCHEMBL22931784 0.77 TRPM8 (0.33) CNR1LMNA
SCHEMBL24755068 0.75 CACNA1H (0.32) RORCLMNATP53HTTNPSR1
SCHEMBL29806167 0.75 RXRA (0.33) CNR1LMNACYP3A4HDAC1HDAC6
SCHEMBL22931782 0.75 RXRA (0.33) CNR1LMNACYP3A4HDAC1HDAC6
SCHEMBL29420783 0.74 EPHX2 (0.41) MAPK14DHODH
SCHEMBL22931783 0.74 EPHX2 (0.41) MAPK14DHODH
SCHEMBL22931787 0.65 MT-CO2 (0.37) RORCCNR1LMNA
SCHEMBL22931775 0.64 RXRA (0.32) CYP3A4HDAC1HDAC6

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 ABL1 1245/4885MAPK14 4108/4885RORC 1927/4885

“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