SCHEMBL27033342

SCHEMBL27033342

COc1ccc(Br)c(CC(N)=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G2A P14555 3/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ERN1 O75460 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PDE4D Q08499 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL21351860 0.81 PTPN1 (0.44) MEN1ALDH1A1MAPK1CYP1A2HTT
SCHEMBL29792586 0.78 ERN1 (0.39) MEN1ALDH1A1ERN1CYP1A2TSHR
SCHEMBL17785347 0.78 CD274 (0.40) ERN1
SCHEMBL17785300 0.78 ERN1 (0.39) MEN1ALDH1A1ERN1CYP1A2TSHR
SCHEMBL27033473 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2NPC1MAPT
SCHEMBL26497730 0.76 NQO2 (0.36) MEN1ALDH1A1ERN1NPC1MAPT
SCHEMBL23088431 0.76 L3MBTL1 (0.42) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL17785316 0.75 TTR (0.36) MEN1ALDH1A1ERN1LMNAMAPT
Zinc Ion SCHEMBL30711601 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2NPC1MAPT
SCHEMBL29174266 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2NPC1MAPT

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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 MEN1 662/4885ALDH1A1 3175/4885MAPK1 2974/4885

“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.