SCHEMBL4953526

SCHEMBL4953526

Cc1ccc(NC(=O)OC(C)(C)C)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.43
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL31052566 1.00 LCK (0.43) LCKGSK3BDYRK1ACA12CA1
SCHEMBL15091115 0.85 CYP17A1 (0.39) LCKGSK3BDYRK1ANPC1RECQL
SCHEMBL29971093 0.85 CYP17A1 (0.39) LCKGSK3BDYRK1ANPC1RECQL
SCHEMBL6469040 0.84 LCK (0.46) LCKGSK3BDYRK1ACA12CA1
SCHEMBL30065454 0.84 ATR (0.42) LCKGSK3BDYRK1ANPC1RECQL
SCHEMBL1192179 0.84 ATR (0.42) LCKGSK3BDYRK1ANPC1RECQL
SCHEMBL13506610 0.84 AAK1 (0.40) LCKGSK3BDYRK1ACA1NPC1
SCHEMBL1181120 0.82 RAB9A (0.52) LCKNPC1RAB9ASMN1; SMN2
SCHEMBL29112878 0.81 GSK3B (0.41) LCKGSK3BDYRK1ACA12CA1
SCHEMBL31088073 0.79 CCNT1 (0.37)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710232-B2 Imidazole derivatives used as TAFIa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-04-29 US disclosed
EP-1740569-B1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-02-20 EP disclosed
EP-1864979-A1 Imidazole-derivatives as TAFAIa-inhibitors Sanofi-Aventis Deutschland GmbH (DE) 2007-12-12 EP disclosed
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-07 US disclosed
EP-1740569-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2005105781-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-11-10 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-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS TFPI, TFPI2, SERPINC1 LCK 2563/4885GSK3B 2516/4885DYRK1A 4607/4885

“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.