SCHEMBL25533411

SCHEMBL25533411

CC(C)(F)c1ccc(Nc2ccccc2-c2nnc(-c3nn[nH]n3)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.56
KCNK18 Q7Z418 2/20 0.51
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.39
KCNK2 O95069 1/20 0.39
KCNK10 P57789 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CLCN2 P51788 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22571439 0.91 TAS2R14 (0.64) TAS2R14KCNK18CHRM2DRD2DRD3
SCHEMBL25788464 0.87 TAS2R14 (0.67) TAS2R14KCNK18CHRM2DRD2DRD3
SCHEMBL21749236 0.78 TAS2R14 (0.79) TAS2R14KCNK18CHRM2DRD2DRD3
SCHEMBL25531546 0.77 NOTUM (0.42) TAS2R14ALDH1A1
SCHEMBL25787885 0.76 TAS2R14 (0.67) TAS2R14KCNK18CHRM2DRD2DRD3
SCHEMBL25543296 0.72 TP53 (0.34) TAS2R14ALDH1A1
SCHEMBL22571368 0.72 GSK3B (0.45) TAS2R14ALDH1A1
SCHEMBL22571428 0.72 GSK3B (0.47) TAS2R14MEN1KMT2AALDH1A1
SCHEMBL22571365 0.72 KDM4E (0.51) TAS2R14MEN1KMT2ATDP1ALDH1A1
SCHEMBL20552917 0.71 TAS2R14 (0.64) TAS2R14KCNK18CHRM2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US 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-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 TAS2R14 4508/4885KCNK18 4291/4885CHRM2 4826/4885

“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.