SCHEMBL23701533

SCHEMBL23701533

COC(=O)NCc1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.48
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.40
DDX3X O00571 1/20 0.40
GSK3B P49841 2/20 0.39
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FLT1 P17948 3/20 0.38
KDR P35968 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
AGPAT2 O15120 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL23701605 0.91 ABCG2 (0.44) ABCG2THRBTP53DDX3XPARP1
SCHEMBL22571337 0.91 ABCG2 (0.44) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL23701542 0.91 ABCG2 (0.43) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL23701617 0.90 ABCG2 (0.46) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL22556509 0.89 ABCG2 (0.43) ABCG2TP53DDX3XGSK3BPARP1
SCHEMBL23701608 0.89 DDX3X (0.46) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL23701587 0.85 ABCG2 (0.46) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL23701541 0.85 ABCG2 (0.46) ABCG2THRBTP53DDX3XGSK3B
SCHEMBL22556393 0.85 TGM2 (0.42) ABCG2TP53DDX3XGSK3BPARP1
SCHEMBL22571420 0.84 GSK3B (0.43) ABCG2TP53DDX3XGSK3BALDH1A1

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 2985/4885THRB 1234/4885TP53 4/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 ABCG2 2985/4885THRB 1234/4885TP53 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.