SCHEMBL29830469

SCHEMBL29830469

COc1cc(=O)[nH]c2cc(Br)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
AR P10275 1/20 0.46
NQO2 P16083 3/20 0.45
CYP19A1 P11511 2/20 0.45
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45

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
SCHEMBL27030415 1.00 KDM4E (0.49) KDM4ECDK4CCND1TNKS2AR
SCHEMBL27030100 0.87 KDM4E (0.45) KDM4ECDK4CCND1TNKS2AR
SCHEMBL30945579 0.87 KDM4E (0.45) KDM4ECDK4CCND1TNKS2AR
SCHEMBL2798886 0.79 KDM4E (0.62) KDM4ETNKS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL29892996 0.79 KDM4E (0.62) KDM4ETNKS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3227702 0.78 SLC6A4 (0.45) KDM4ECDK4CCND1TNKS2TUBB4A
SCHEMBL9393341 0.78 GRIN2D (0.46) KDM4ECDK4CCND1TNKS2TUBB4A
SCHEMBL2799080 0.77 TNKS2 (0.61) KDM4ETNKS2ARNQO2ALDH1A1
SCHEMBL31664571 0.77 TNKS2 (0.61) KDM4ETNKS2ARNQO2ALDH1A1
SCHEMBL31664560 0.77 KDM4E (0.59) KDM4ETNKS2ARNQO2CYP19A1

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 3 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
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 794/4885CDK4 2717/4885CCND1 3430/4885

“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.