SCHEMBL4038795

SCHEMBL4038795

O=C1NC(=O)C(Br)(c2ccccc2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.57
MMP2 P08253 5/20 0.57
CYP2C9 P11712 3/20 0.52
BLM P54132 2/20 0.52
PMP22 Q01453 2/20 0.52
CACNA1F O60840 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
SCN1A P35498 1/20 0.52
SCN4A P35499 1/20 0.52
CACNA1D Q01668 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
MMP3 P08254 4/20 0.43

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
SCHEMBL4662863 0.88 MMP2 (0.57) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL6446699 0.83 MMP2 (0.66) MMP9MMP2MMP3MMP8MMP13
SCHEMBL7477539 0.78 MMP2 (0.41) MMP9MMP2ALDH1A1KCNH2MMP3
SCHEMBL8265816 0.77 MMP2 (0.54) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL713351 0.76 MMP9 (0.61) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL1861823 0.74 MMP9 (0.59) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL3207324 0.74 MMP9 (0.59) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL3195931 0.74 MMP9 (0.59) MMP9MMP2CYP2C9BLMPMP22
SCHEMBL7472025 0.74 MMP2 (0.47) MMP9MMP2MAPTMMP3MMP8
SCHEMBL77738 0.73 MMP2 (1.00) MMP9MMP2CYP2C9BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305026-B1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA SPA (IT) 2009-05-13 EP disclosed
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS VIA ARIOSTO, 23 (IT) 2008-05-15 US disclosed
CN-1318406-C New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 2007-05-30 CN disclosed
US-20030229108-A1 Barbituric acid analogs as therapeutic agents NOVUSPHARMA S.P.A. (IT) 2003-12-11 US disclosed
CN-1433312-A Barbituric acid analogs as therapeutic agents NOWISS MEDICINE S P A (IT) 2003-07-30 CN disclosed
EP-1305026-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS Novuspharma S.p.A. (IT) 2003-05-02 EP disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
WO-2001093841-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA S.P.A. (IT) 2001-12-13 WO disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
CN-1209123-A New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 1999-02-24 CN disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 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 (2 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-20030229108-A1 Barbituric acid analogs as therapeutic agents HIF1AN, HIF1A, VHL MMP9 1460/4885MMP2 1450/4885CYP2C9 3738/4885
US-20080113993-A1 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS HIF1A, HIF1AN, PDGFA MMP9 1986/4885MMP2 1803/4885CYP2C9 3852/4885

“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.