SCHEMBL23930760

SCHEMBL23930760

O=C(CCCOc1cccc2c1[C@@H](CN1C(=O)c3ccccc3C1=O)N(C(=O)O)CC2)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
KEAP1 Q14145 13/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
NFE2L2 Q16236 4/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30258583 0.90 PARP1 (0.43) PARP1KEAP1PTGDR2NFE2L2ATM
SCHEMBL30256409 0.90 PARP1 (0.43) PARP1KEAP1PTGDR2NFE2L2ATM
SCHEMBL30258676 0.86 KEAP1 (0.52) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL23930720 0.86 KEAP1 (0.52) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL23930764 0.85 KEAP1 (0.45) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL28594808 0.84 KEAP1 (0.48) KEAP1NFE2L2ATML3MBTL1ALDH1A1
SCHEMBL28589283 0.83 KEAP1 (0.44) PARP1KEAP1NFE2L2ATML3MBTL1
SCHEMBL25555646 0.82 TSHR (0.41) PARP1KEAP1PTGDR2ALDH1A1NOTUM
SCHEMBL25551915 0.82 TSHR (0.41) PARP1KEAP1PTGDR2ALDH1A1NOTUM
Hydrochloric Acid SCHEMBL30258420 0.81 TSHR (0.40) PARP1KEAP1PTGDR2ALDH1A1NOTUM

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 4 patents. 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
EP-4139295-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4x Discovery Limited (GB) 2023-03-01 EP disclosed
CN-115667242-A Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2023-01-31 CN disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 PARP1 950/4885KEAP1 2/4885PTGDR2 1644/4885

“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.