SCHEMBL22556435

SCHEMBL22556435

CNC1(c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT1 P17948 3/20 0.38
KDR P35968 3/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
TEAD1 P28347 2/20 0.37
RAB9A P51151 2/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL30323517 1.00 GSK3B (0.40) GSK3BABCG2OPRM1OPRL1KDM4E
SCHEMBL22556385 0.87 ABCG2 (0.43) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22556438 0.85 ABCG2 (0.41) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22571341 0.85 GSK3B (0.43) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22571375 0.85 GSK3B (0.43) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL23701591 0.85 ABCG2 (0.46) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL30323452 0.84 GSK3B (0.42) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22556469 0.84 GSK3B (0.42) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22556563 0.84 KDM4E (0.43) GSK3BABCG2KDM4EALDH1A1CYP1A2
SCHEMBL22556404 0.84 SLC6A4 (0.40) GSK3BABCG2KDM4EALDH1A1CYP1A2

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 9 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-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 WO disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 WO disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 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 (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 GSK3B 193/4885ABCG2 2985/4885OPRM1 3016/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 GSK3B 193/4885ABCG2 2985/4885OPRM1 3016/4885

“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.