SCHEMBL27030100

SCHEMBL27030100

COc1cc(Br)cc2[nH]c(=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
TNKS2 Q9H2K2 1/20 0.43
NQO2 P16083 4/20 0.42
CYP19A1 P11511 2/20 0.42
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
PDE3B Q13370 5/20 0.40
PDE3A Q14432 5/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40

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
SCHEMBL30945579 1.00 KDM4E (0.45) KDM4ETNKS2NQO2CYP19A1GRIN2D
SCHEMBL29830469 0.87 KDM4E (0.49) KDM4ETNKS2NQO2CYP19A1GRIN2D
SCHEMBL27030415 0.87 KDM4E (0.49) KDM4ETNKS2NQO2CYP19A1GRIN2D
SCHEMBL3860178 0.80 KDM4E (0.45) KDM4ETNKS2NQO2CYP19A1GRIN2D
SCHEMBL15448463 0.77 KDM4E (0.56) KDM4ETNKS2PDE3BPDE3AALDH1A1
SCHEMBL29471177 0.75 GRIN2D (0.47) KDM4ETNKS2NQO2GRIN2DGRIN3B
SCHEMBL29707485 0.75 NR4A2 (0.47) KDM4EALDH1A1HPGD
SCHEMBL27030475 0.75 NR4A2 (0.47) KDM4EALDH1A1HPGD
SCHEMBL7271023 0.75 CA12 (0.43) NQO2CYP19A1GRIN2DGRIN3BGRIN1
SCHEMBL2798796 0.75 KDM4E (0.58) KDM4ENQO2CDK4CCND1PDE3B

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 KDM4E 794/4885TNKS2 889/4885NQO2 2610/4885

“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.