SCHEMBL23959519

SCHEMBL23959519

O=C1c2ccccc2C(=O)N1C[C@H]1NCCc2cccc(O)c21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
DRD3 P35462 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
KEAP1 Q14145 7/20 0.40
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADRB2 P07550 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24174326 1.00 PARP1 (0.42) PARP1DRD3CYP2C9CYP2C19ALDH1A1
SCHEMBL30421259 1.00 PARP1 (0.42) PARP1DRD3CYP2C9CYP2C19ALDH1A1
SCHEMBL23959359 0.84 KDM4E (0.43) PARP1DRD3KEAP1NFE2L2KDM4E
SCHEMBL30422185 0.84 KDM4E (0.43) PARP1DRD3KEAP1NFE2L2KDM4E
SCHEMBL24174302 0.84 KDM4E (0.43) PARP1DRD3KEAP1NFE2L2KDM4E
SCHEMBL30422600 0.83 HTR2C (0.45) PARP1ALDH1A1KDM4EMAPT
SCHEMBL24174623 0.83 HTR2C (0.45) PARP1ALDH1A1KDM4EMAPT
SCHEMBL23959518 0.83 HTR2C (0.45) PARP1ALDH1A1KDM4EMAPT
SCHEMBL9913091 0.81 PRCP (0.52) CYP2C9CYP2C19ALDH1A1NPSR1KEAP1
SCHEMBL30952112 0.81 PRCP (0.52) CYP2C9CYP2C19ALDH1A1NPSR1KEAP1

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 8 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
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 PARP1 950/4885DRD3 3750/4885CYP2C9 1200/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 PARP1 1632/4885DRD3 4066/4885CYP2C9 2153/4885

“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.