SCHEMBL4663111

SCHEMBL4663111

O=C(O)CCCC(=O)Nc1ccc(N2CCN(C3(c4ccc(-c5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.57
MMP9 P14780 8/20 0.57
GAA P10253 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
MMP8 P22894 7/20 0.45
MMP13 P45452 7/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44

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
SCHEMBL4663101 0.94 MMP2 (0.59) MMP2MMP9GAANPSR1HSD17B10
SCHEMBL4662848 0.84 MMP2 (0.63) MMP2MMP9GAAMAPTKDM4E
SCHEMBL4664508 0.78 MMP2 (0.66) MMP2MMP9MMP8MMP13
SCHEMBL4664602 0.77 MMP2 (0.72) MMP2MMP9MAPTMMP8MMP13
SCHEMBL8471189 0.75 MMP2 (0.80) MMP2MMP9MMP8MMP13
SCHEMBL4664591 0.75 MMP2 (0.69) MMP2MMP9HSD17B10MAPTMMP8
SCHEMBL726759 0.73 MMP2 (1.00) MMP2MMP9GAAMMP13
SCHEMBL6447921 0.73 MMP2 (0.70) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL4663104 0.71 MMP2 (0.64) MMP2MMP9MMP8MMP13
SCHEMBL30964189 0.70 L3MBTL1 (0.80) GAANPSR1HSD17B10L3MBTL1MAPT

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 5 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 claimed
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 claimed
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 claimed
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-1632489-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. University of Liege (BE) 2006-03-08 EP 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 54/4885GAA 195/4885

“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.