SCHEMBL23959516

SCHEMBL23959516

O=C1c2ccccc2C(=O)N1C[C@H]1NCCc2c(Br)ccc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1B1 Q16678 5/20 0.38
KEAP1 Q14145 6/20 0.36
MIF P14174 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL30422171 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CYP1B1KEAP1
SCHEMBL25265325 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CYP1B1KEAP1
SCHEMBL25437935 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
SCHEMBL24174313 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
SCHEMBL30533783 0.86 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
Bromide SCHEMBL31181787 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
Hydrochloric Acid SCHEMBL31181780 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
Bromide SCHEMBL28576583 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
Bromide SCHEMBL28576581 0.85 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KEAP1MIF
SCHEMBL24175264 0.84 KDM4E (0.40) KEAP1KDM4ENFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139295-B1 ISOQUINILINE NRF2 AGONISTS C4X DISCOVERY LTD (GB) 2025-04-09 EP disclosed
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US 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 (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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 CYP1A2 153/4885CYP2C9 1200/4885CYP2C19 1332/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 CYP1A2 527/4885CYP2C9 2153/4885CYP2C19 2204/4885

“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.