SCHEMBL23701613

SCHEMBL23701613

CC(CN(C)C(=O)O)c1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.41
MTOR P42345 1/20 0.41
TP53 P04637 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK8 P45983 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL22556473 0.89 ABCG2 (0.40) ABCG2MTORTP53GSK3BFLT1
SCHEMBL25188053 0.88 ABCG2 (0.39) ABCG2MTORTP53GSK3BMAPK8
SCHEMBL23701512 0.86 ABCG2 (0.43) ABCG2MTORTP53GSK3BMAPK8
SCHEMBL22556513 0.85 FLT1 (0.37) ABCG2TP53GSK3BFLT1KDR
SCHEMBL23701614 0.83 ABCG2 (0.45) ABCG2TP53GSK3BMAPK8FLT1
SCHEMBL23701532 0.83 MTOR (0.46) ABCG2MTORTP53GSK3BMAPK8
SCHEMBL25193500 0.82 ABCG2 (0.40) ABCG2MTORTP53GSK3BMAPK8
SCHEMBL22556578 0.81 FLT1 (0.40) ABCG2TP53GSK3BFLT1KDR
SCHEMBL30463819 0.81 FLT1 (0.40) ABCG2TP53GSK3BFLT1KDR
SCHEMBL23701616 0.81 ABCG2 (0.42) ABCG2MTORTP53GSK3BMAPK8

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-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 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 (2 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-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 ABCG2 2985/4885MTOR 219/4885TP53 4/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 ABCG2 2985/4885MTOR 219/4885TP53 4/4885

“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.