SCHEMBL23930728

SCHEMBL23930728

O=C(c1cncs1)N1CC[C@@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.51
HSP90AA1 P07900 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.46
VNN1 O95497 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TYRO3 Q06418 1/20 0.41
ADORA2B P29275 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 1/20 0.38
HDAC4 P56524 1/20 0.38
PIK3CA P42336 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
SCHEMBL23930730 1.00 PIK3CD (0.51) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL30194846 0.91 PIK3CD (0.50) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL23959381 0.80 ALDH1A1 (0.47) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL28478515 0.78 ALDH1A1 (0.45) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL23959527 0.77 PIK3CD (0.47) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL11100629 0.77 GAA (0.51) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL31738591 0.76 PIK3CD (0.48) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL14887797 0.76 ALDH1A1 (0.53) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL31428487 0.74 HPGD (0.59) PIK3CDHSP90AA1ALDH1A1MAPTPKM
SCHEMBL27888737 0.74 SMN1; SMN2 (0.66) ALDH1A1MAPTGAANPC1RAB9A

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 6 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
CN-115667242-B Tetrahydroisoquinoline compounds as NRF2 activators 希四克斯探索有限公司 2025-02-28 CN disclosed
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 PIK3CD 2624/4885HSP90AA1 1319/4885ALDH1A1 773/4885

“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.