SCHEMBL23217050

SCHEMBL23217050

COc1ccc(Cl)c(Cl)c1C=CC(O)[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD2 P14416 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
PDE4B Q07343 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL28827794 0.79 ALDH1A1 (0.37) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL28827759 0.75 DRD2 (0.37) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL23214820 0.73 SMN1; SMN2 (0.42) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23217430 0.67 S1PR1 (0.38) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL23217162 0.67 ALDH1A1 (0.38) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL28827789 0.67 MAPT (0.39) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL23217213 0.66 DRD2 (0.36) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL23216739 0.65 EED (0.48) MEN1KMT2AALDH1A1PDE4BMAPT
SCHEMBL23230963 0.64 PDE4B (0.38) LMNAMEN1KMT2ADRD2ALDH1A1
SCHEMBL28447410 0.63 MGLL (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
EP-4041405-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP disclosed
CN-114828963-A Arylheterobicyclic compounds as Kv1.3 potassium SHAKER channel blockers D·E·萧尔研究有限责任公司 2022-07-29 CN disclosed
WO-2021071832-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 LMNA 2669/4885MEN1 1815/4885KMT2A 540/4885

“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.