SCHEMBL22355446

SCHEMBL22355446

Oc1ccc2c(n1)CNCCO2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.34
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HTR2C P28335 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
Hydrochloric Acid SCHEMBL29694220 0.98 KEAP1 (0.33) KEAP1APEX1ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL26618459 0.98 KEAP1 (0.33) KEAP1APEX1ALDH1A1GAAMAPT
SCHEMBL22355344 0.72 NTRK1 (0.32) APEX1
SCHEMBL9933113 0.71 KEAP1 (0.41) KEAP1APEX1HTR2C
SCHEMBL21041640 0.70 HTR2C (0.45) HTR2C
Hydrochloric Acid SCHEMBL18322001 0.70 KEAP1 (0.40) KEAP1APEX1HTR2C
Hydrochloric Acid SCHEMBL26625864 0.70 KEAP1 (0.40) KEAP1APEX1HTR2C
SCHEMBL22355519 0.68 NTRK1 (0.35)
SCHEMBL22355454 0.68 NTRK1 (0.35)
SCHEMBL22355459 0.68 NTRK1 (0.35)

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 KEAP1 1/4885APEX1 2185/4885ALDH1A1 707/4885

“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.