SCHEMBL27030438

SCHEMBL27030438

COc1ccc(CN2CNc3nc(Br)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX15 P16050 1/20 0.37
CMA1 P23946 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
IDO1 P14902 1/20 0.36
KMT2A Q03164 2/20 0.36
PSMD14 O00487 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 1/20 0.36
GRM2 Q14416 1/20 0.36
TSHR P16473 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
SCHEMBL27135112 0.74 ALDH1A1 (0.34) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL29830042 0.74 ALDH1A1 (0.34) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL27030242 0.74 ALDH1A1 (0.34) GAAKDM4EALDH1A1MAPTLMNA
SCHEMBL27030112 0.73 ALDH1A1 (0.33) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL29829921 0.73 ALDH1A1 (0.33) GAAKDM4EMMP1MMP13ALDH1A1
SCHEMBL12147191 0.72 PDE1B (0.43) GAAKDM4EMMP1MMP13SIGMAR1
SCHEMBL12146483 0.69 PDE1B (0.41) GAAKDM4EMMP1MMP13SIGMAR1
SCHEMBL29888651 0.69 GRIN1 (0.53) GAAALDH1A1MAPTSMN1; SMN2OPRM1
SCHEMBL7028885 0.68 GAA (0.42) GAAKDM4EMMP1MMP13SIGMAR1
SCHEMBL10009196 0.67 GAA (0.50) GAAKDM4EMMP1MMP13ALDH1A1

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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-06-20 US disclosed
EP-4308564-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197789-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN 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-20240199613-A1 POLYCYCLIC INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 GAA 1826/4885KDM4E 794/4885MMP1 648/4885

“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.