SCHEMBL4664602

SCHEMBL4664602

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.72
MMP9 P14780 17/20 0.72
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
ADAM17 P78536 2/20 0.44
MMP3 P08254 1/20 0.44
MAPT P10636 1/20 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
SCHEMBL6447921 0.86 MMP2 (0.70) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL4664591 0.86 MMP2 (0.69) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL4663104 0.84 MMP2 (0.64) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL726759 0.84 MMP2 (1.00) MMP2MMP9MMP13ADAM17
SCHEMBL8471189 0.84 MMP2 (0.80) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL4664508 0.83 MMP2 (0.66) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL7474147 0.83 MMP2 (0.64) MMP2MMP9MMP8MMP13MMP3
SCHEMBL4662848 0.81 MMP2 (0.63) MMP2MMP9ADAM17MAPT
SCHEMBL18457262 0.79 MMP2 (0.74) MMP2MMP9MMP8MMP13ADAM17
SCHEMBL8341012 0.79 MMP2 (0.80) MMP2MMP9MMP8MMP13

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 7 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
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
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
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

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 54/4885MMP8 64/4885

“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.