SCHEMBL25555648

SCHEMBL25555648

CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2cccc(OCCCC(=O)O)c2C1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 19/20 0.56
NFE2L2 Q16236 6/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL25187594 1.00 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL30371770 1.00 KEAP1 (0.56) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL29274876 0.94 KEAP1 (0.54) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL25555289 0.94 KEAP1 (0.54) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL29274879 0.94 KEAP1 (0.54) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL23930784 0.94 KEAP1 (0.54) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL30256556 0.94 KEAP1 (0.54) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL30258676 0.91 KEAP1 (0.52) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL23930720 0.91 KEAP1 (0.52) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL23930727 0.89 KEAP1 (0.62) KEAP1NFE2L2ATML3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KEAP1 2/4885NFE2L2 1/4885ATM 1374/4885

“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.