SCHEMBL22556401

SCHEMBL22556401

FC(F)(F)c1ccc(Nc2ccccc2-c2nnc(C3CCCN3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FLT1 P17948 3/20 0.37
▸ KDR P35968 3/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TEAD1 P28347 1/20 0.33

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
SCHEMBL30463772 1.00 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9GSK3BTAS2R14
SCHEMBL25528872 0.84 ALDH1A1 (0.43) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL22556546 0.82 HTR2C (0.40) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL30463802 0.82 HTR2C (0.40) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL22556463 0.81 GSK3B (0.41) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL30323579 0.81 GSK3B (0.41) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL22556476 0.81 GSK3B (0.43) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL30323588 0.81 GSK3B (0.43) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL30323492 0.80 GSK3B (0.39) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1
SCHEMBL22556526 0.80 GSK3B (0.39) CYP1A2CYP2C19GSK3BTAS2R14ALDH1A1

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 8 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
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 CYP1A2 3505/4885CYP2C19 4494/4885CYP2C9 4134/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 CYP1A2 3505/4885CYP2C19 4494/4885CYP2C9 4134/4885

“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.

Send feedback