SCHEMBL23701608

SCHEMBL23701608

COC(=O)NCCCc1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.45
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
FLT1 P17948 3/20 0.38
KDR P35968 3/20 0.38
GSK3B P49841 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 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
AGPAT2 O15120 1/20 0.35
MGAM O43451 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
SCHEMBL23701617 0.94 ABCG2 (0.46) DDX3XABCG2THRBTP53FLT1
SCHEMBL25530115 0.89 NPSR1 (0.50) DDX3XABCG2TP53NPSR1ALDH1A1
SCHEMBL23701533 0.89 ABCG2 (0.48) DDX3XABCG2THRBTP53FLT1
SCHEMBL23701557 0.86 DDX3X (0.43) DDX3XABCG2THRBTP53FLT1
SCHEMBL22571358 0.86 HTT (0.46) ABCG2NPSR1KDM4EALDH1A1CYP1A2
SCHEMBL23701624 0.85 ABCG2 (0.42) DDX3XABCG2THRBTP53FLT1
SCHEMBL22556431 0.85 DDX3X (0.42) DDX3XABCG2TP53FLT1KDR
SCHEMBL30463775 0.85 DDX3X (0.42) DDX3XABCG2TP53FLT1KDR
SCHEMBL22556452 0.84 DDX3X (0.43) DDX3XABCG2TP53FLT1KDR
SCHEMBL23701587 0.82 ABCG2 (0.46) DDX3XABCG2THRBTP53FLT1

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 DDX3X 611/4885ABCG2 2985/4885THRB 1234/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 DDX3X 611/4885ABCG2 2985/4885THRB 1234/4885

“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.