SCHEMBL25555646

SCHEMBL25555646

O=C(CCCOc1cccc2c1C(CN1C(=O)c3ccccc3C1=O)NCC2)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.40
PARP1 P09874 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KEAP1 Q14145 4/20 0.36
HTT P42858 1/20 0.34
S1PR5 Q9H228 1/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 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
SCHEMBL25551915 1.00 TSHR (0.41) TSHRGLAPARP1PTGDR2NOTUM
Hydrochloric Acid SCHEMBL30258420 0.99 TSHR (0.40) TSHRGLAPARP1PTGDR2NOTUM
Hydrochloric Acid SCHEMBL23930745 0.87 KEAP1 (0.38) TSHRPARP1PTGDR2KEAP1S1PR5
Hydrochloric Acid SCHEMBL23930741 0.87 KEAP1 (0.38) TSHRPARP1PTGDR2KEAP1S1PR5
Hydrochloric Acid SCHEMBL23930754 0.83 DRD2 (0.38) TSHRKEAP1MEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL23930750 0.83 DRD2 (0.38) TSHRKEAP1MEN1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL30256269 0.83 DRD2 (0.38) TSHRKEAP1MEN1CYP3A4KMT2A
SCHEMBL23930760 0.82 PARP1 (0.45) TSHRPARP1PTGDR2NOTUMALDH1A1
SCHEMBL30258583 0.78 PARP1 (0.43) PARP1PTGDR2ALDH1A1KEAP1
SCHEMBL30256409 0.78 PARP1 (0.43) PARP1PTGDR2ALDH1A1KEAP1

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 TSHR 3995/4885GLA 3410/4885PARP1 950/4885

“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.