SCHEMBL22931782

SCHEMBL22931782

CNc1cnc(N(C(=O)OC(C)(C)C)c2ccc(C(F)(F)F)cc2)c(C(=N)NO)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.33
▸ NR1H2 P55055 2/20 0.33
▸ NR1H3 Q13133 2/20 0.33
▸ HDAC3 O15379 3/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 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
▸ LTC4S Q16873 1/20 0.30
▸ KIT P10721 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CSF1R P07333 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
SCHEMBL29806167 1.00 RXRA (0.33) RXRANR1H2NR1H3HDAC3HDAC1
SCHEMBL22931784 0.81 TRPM8 (0.33) RXRANR1H2NR1H3CNR1CNR2
SCHEMBL24755009 0.78 LIPE (0.35) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL29806705 0.78 LIPE (0.35) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL24755151 0.76 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22931785 0.75 ABL1 (0.33) HDAC1HDAC6CNR1LMNACYP3A4
SCHEMBL24755070 0.73 NQO2 (0.35) MAPTLMNA
SCHEMBL22931775 0.69 RXRA (0.32) RXRANR1H2NR1H3HDAC3HDAC1
SCHEMBL29420832 0.69 RXRA (0.32) RXRANR1H2NR1H3HDAC3HDAC1
SCHEMBL22931787 0.69 MT-CO2 (0.37) RXRANR1H2NR1H3CNR1LMNA

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 RXRA 883/4885NR1H2 99/4885NR1H3 95/4885

“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