SCHEMBL23217072

SCHEMBL23217072

Brc1ncnn1C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATR Q13535 3/20 0.37
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
APEX1 P27695 1/20 0.36
PI4KA P42356 1/20 0.36
BLM P54132 1/20 0.36
ADCY1 Q08828 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36

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
Hydrochloric Acid SCHEMBL31618027 0.78 CYP4F2 (0.43) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL18758225 0.76 CYP4F2 (0.47) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL31641559 0.73 ALDH1A1 (0.47) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL18367241 0.72 GAA (0.41) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL14903852 0.72 CYP4F2 (0.47) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL22449667 0.72 CYP4F2 (0.44) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL30045758 0.72 ALDH1A1 (0.52) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL3717759 0.72 CYP4F2 (0.44) CYP2C19ALDH1A1POLBLMNACYP4F2
SCHEMBL22401603 0.71
SCHEMBL19253457 0.71 ALDH1A1 (0.38) CYP2C19ALDH1A1POLBLMNACYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709725-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Progentos Therapeutics, Inc. (US) 2026-03-18 EP disclosed
WO-2024233642-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PROGENTOS THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
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
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 CYP2C19 668/4885ALDH1A1 3120/4885POLB 3148/4885

“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.