SCHEMBL23959358

SCHEMBL23959358

O=C1c2ccccc2CN1CC1NCCc2c(Br)ccc(O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
PREP P48147 2/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30422426 1.00 KDM4E (0.40) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL24175264 1.00 KDM4E (0.40) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL25264952 0.88 KDM4E (0.39) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL30422173 0.88 KDM4E (0.39) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL23959363 0.88 KDM4E (0.39) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL24174302 0.84 KDM4E (0.43) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL23959516 0.84 CYP1A2 (0.40) KDM4EKEAP1NFE2L2
SCHEMBL23959359 0.84 KDM4E (0.43) KDM4EALOX15TSHRSIRT1KEAP1
SCHEMBL25265325 0.84 CYP1A2 (0.40) KDM4EKEAP1NFE2L2
SCHEMBL30422185 0.84 KDM4E (0.43) KDM4EALOX15TSHRSIRT1KEAP1

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 5 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
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 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 (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 KDM4E 2935/4885ALOX15 219/4885TSHR 3995/4885

“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.