SCHEMBL22355462

SCHEMBL22355462

CC(C)(C)[C@@H]1CNCc2nc(O)ccc2O1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL30850050 1.00 KDM4E (0.30) KDM4EALDH1A1GAAHPGD
SCHEMBL22355448 0.85
SCHEMBL22355447 0.85
SCHEMBL22355451 0.85
Hydrochloric Acid SCHEMBL29694224 0.84
Hydrochloric Acid SCHEMBL29694258 0.84
SCHEMBL22355519 0.80 NTRK1 (0.35)
SCHEMBL22355454 0.80 NTRK1 (0.35)
SCHEMBL22355459 0.80 NTRK1 (0.35)
Hydrochloric Acid SCHEMBL30850013 0.79 NTRK1 (0.34)

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-20220204526-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-06-30 US disclosed
WO-2020165776-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-08-20 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 (1 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-20220204526-A1 HYDROXYPYRIDOXAZEPINES AS NRF2 ACTIVATORS KEAP1, NFE2L2, NQO1 KDM4E 2659/4885ALDH1A1 707/4885GAA 1803/4885

“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.