SCHEMBL1669705

SCHEMBL1669705

Brc1cc(C2CC2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
IDO1 P14902 2/20 0.34
LNPEP Q9UIQ6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
PRKCI P41743 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
POLB P06746 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
USP30 Q70CQ3 1/20 0.31
HCRTR1 O43613 1/20 0.31

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
SCHEMBL27952784 0.92 CYP11B2 (0.40) HDAC4HDAC6HDAC8KDM4EHDAC1
Formic Acid SCHEMBL27871142 0.82 HDAC8 (0.35) HDAC4HDAC6HDAC3HDAC7HDAC8
SCHEMBL29183424 0.80 PRMT5 (0.39)
SCHEMBL29183430 0.80 PRMT5 (0.39)
SCHEMBL29183423 0.80 PRMT5 (0.39)
SCHEMBL31339241 0.76 CTRB1 (0.36) HCRTR1HCRTR2
SCHEMBL31339248 0.74 MAPT (0.41) KDM4ETLR9TLR8TLR7POLB
SCHEMBL15689645 0.74 RECQL (0.41) HDAC4HDAC6HDAC3HDAC7HDAC8
SCHEMBL16877320 0.74 LNPEP (0.33) HDAC4HDAC6HDAC3HDAC7HDAC8
SCHEMBL3178410 0.74 NOS3 (0.45) HDAC4HDAC6HDAC3HDAC7HDAC8

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
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
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
CN-117355523-A Polycyclic inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2023-03-16 US disclosed
US-9540349-B2 Substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2017-01-10 US disclosed
US-9315490-B2 2,5-substituted pyrimidines GRUENENTHAL GMBH (DE) 2016-04-19 US disclosed
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines GRUENENTHAL GMBH (DE) 2016-01-28 US disclosed
US-20160016937-A1 Novel substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
US-20160016937-A1 Novel substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
US-20160016937-A1 Novel substituted pyrimidine compounds GRUENENTHAL GMBH (DE) 2016-01-21 US disclosed
WO-2016008593-A1 NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-01-21 WO disclosed
WO-2016008592-A1 NOVEL 2,5-SUBSTITUTED PYRIMIDINES AS PDE INHIBITORS Grünenthal GmbH (DE) 2016-01-21 WO disclosed
EP-2491028-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
WO-2011049917-A1 INDAZOLE AND PYRAZOLOPYRIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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 (6 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 HDAC4 1323/4885HDAC6 2209/4885HDAC3 1351/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HDAC4 2160/4885HDAC6 2850/4885HDAC3 2755/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 HDAC4 2135/4885HDAC6 2977/4885HDAC3 2147/4885
US-20160016937-A1 Novel substituted pyrimidine compounds PDE4A, PDE4B, TYMP HDAC4 436/4885HDAC6 1880/4885HDAC3 3556/4885
US-20230078513-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HDAC4 2160/4885HDAC6 2850/4885HDAC3 2755/4885
US-20160024053-A1 Novel 2,5-Substituted Pyrimidines PDE4B, PDE4A, PDE12 HDAC4 200/4885HDAC6 967/4885HDAC3 2579/4885

“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.