SCHEMBL22556492

SCHEMBL22556492

CC1(C)OCC(O)(c2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)o2)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.40
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
GSK3B P49841 2/20 0.38
TP53 P04637 1/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL22556462 0.89 KDM4E (0.42) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22556563 0.88 KDM4E (0.43) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22571436 0.86 KDM4E (0.41) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL30323433 0.86 KDM4E (0.41) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22556541 0.86 KDM4E (0.41) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22556469 0.86 GSK3B (0.42) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL30323452 0.86 GSK3B (0.42) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22556504 0.84 KDM4E (0.40) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL30323429 0.84 KDM4E (0.40) ABCG2KDM4EALDH1A1CYP1A2POLB
SCHEMBL22556587 0.84 GSK3B (0.40) ABCG2KDM4EALDH1A1CYP1A2POLB

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 ABCG2 2985/4885KDM4E 1591/4885ALDH1A1 2353/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 ABCG2 2985/4885KDM4E 1591/4885ALDH1A1 2353/4885

“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.