SCHEMBL4662863

SCHEMBL4662863

O=C1NC(=O)C(Br)(c2ccc(-c3ccccc3)cc2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.57
MMP9 P14780 9/20 0.57
MMP3 P08254 2/20 0.57
MMP8 P22894 2/20 0.45
MMP13 P45452 3/20 0.43
ALDH1A1 P00352 2/20 0.41
CACNA1F O60840 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL8265816 0.88 MMP2 (0.54) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4038795 0.88 MMP9 (0.57) MMP2MMP9MMP3MMP8MMP13
SCHEMBL6446699 0.80 MMP2 (0.66) MMP2MMP9MMP3MMP8MMP13
SCHEMBL7477539 0.76 MMP2 (0.41) MMP2MMP9MMP3MMP8MMP13
SCHEMBL7472025 0.72 MMP2 (0.47) MMP2MMP9MMP3MMP8MMP13
SCHEMBL542225 0.70 TNKS (0.62) MMP2MMP9MMP3MMP8MMP13
SCHEMBL5924484 0.69 MMP2 (0.59) MMP2MMP9MMP3MMP8MMP13
Phenytoin SCHEMBL11376417 0.67 CYP2C9 (0.88) MMP2MMP9MMP3ALDH1A1CACNA1F
SCHEMBL713351 0.66 MMP9 (0.61) MMP2MMP9MMP3MMP8MMP13
SCHEMBL3195931 0.64 MMP9 (0.59) MMP2MMP9MMP3MMP8MMP13

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-20080096897-A1 5-(1,1'Biphenyl)-4-Yl-5-(4-(4-Aminoacylphenyl)-Piperazin)-1-Yl-Pyrimidine-2,4,6,-Trione Derivatives, As Inhibitors Of Zinc Metallondopeptidases, Their Preparation And Use UNIVERSITE DE LIEGE (BE) 2008-04-24 US disclosed
US-20080096897-A1 5-(1,1'Biphenyl)-4-Yl-5-(4-(4-Aminoacylphenyl)-Piperazin)-1-Yl-Pyrimidine-2,4,6,-Trione Derivatives, As Inhibitors Of Zinc Metallondopeptidases, Their Preparation And Use UNIVERSITE DE LIEGE (BE) 2008-04-24 US disclosed
US-20080096897-A1 5-(1,1'Biphenyl)-4-Yl-5-(4-(4-Aminoacylphenyl)-Piperazin)-1-Yl-Pyrimidine-2,4,6,-Trione Derivatives, As Inhibitors Of Zinc Metallondopeptidases, Their Preparation And Use UNIVERSITE DE LIEGE (BE) 2008-04-24 US disclosed
EP-1784397-A1 5-(1,1'-BIPHENYL)-4-YL-5-(4-(4-AMINOACYLPHENYL)-PIPERAZIN)-1-YL-PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, AS INHIBITORS OF ZINC METALLONDOPEPTIDASES, THEIR PREPARATION AND USE Université de Liège (BE) 2007-05-16 EP disclosed
WO-2006021533-A1 5-(1,1'-BIPHENYL)-4-YL-5-(4-(4-AMINOACYLPHENYL)-PIPERAZIN)-1-YL-PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, AS INHIBITORS OF ZINC METALLONDOPEPTIDASES, THEIR PREPARATION AND USE UNIVERSITE DE LIEGE (BE) 2006-03-02 WO 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

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-20080096897-A1 5-(1,1'Biphenyl)-4-Yl-5-(4-(4-Aminoacylphenyl)-Piperazin)-1-Yl-Pyrimidine-2,4,6,-Trione Derivatives, As Inhibitors Of Zinc Metallondopeptidases, Their Preparation And Use CTRL, TPP1, SERPINB1 MMP2 16/4885MMP9 54/4885MMP3 57/4885

“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.