SCHEMBL726759

SCHEMBL726759

O=C1NC(=O)C(c2ccc(-c3ccccc3)cc2)(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 1.00
MMP9 P14780 11/20 1.00
MMP13 P45452 1/20 0.59
ADAM17 P78536 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
CRBN Q96SW2 1/20 0.45
GAA P10253 1/20 0.44
SIRT6 Q8N6T7 2/20 0.44
POLB P06746 1/20 0.44
ADRB1 P08588 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL7475919 0.93 MMP2 (0.87) MMP2MMP9MMP13ADAM17CRBN
SCHEMBL12273398 0.91 MMP2 (0.84) MMP2MMP9MMP13ADAM17ABCG2
SCHEMBL8471189 0.89 MMP2 (0.80) MMP2MMP9MMP13ADAM17
SCHEMBL4664602 0.84 MMP2 (0.72) MMP2MMP9MMP13ADAM17
SCHEMBL6447921 0.82 MMP2 (0.70) MMP2MMP9MMP13ADAM17
SCHEMBL4664591 0.82 MMP2 (0.69) MMP2MMP9MMP13ADAM17
SCHEMBL5924548 0.81 MMP2 (1.00) MMP2MMP9MMP13ADAM17
SCHEMBL4664508 0.79 MMP2 (0.66) MMP2MMP9MMP13ADAM17
SCHEMBL7474147 0.79 MMP2 (0.64) MMP2MMP9MMP13
SCHEMBL4663104 0.78 MMP2 (0.64) MMP2MMP9MMP13ADAM17

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221991-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER METASTASES UNIVERSITY OF CINCINNATI (US) 2025-07-10 US claimed
US-20230101403-A1 METHOD OF TREATING OR AMELIORATING CANCERS DRIVEN BY RECEPTOR TYROSINE KINASE FUSION ONCOGENES, AND COMPOSITIONS FOR THE SAME UNIV PENNSYLVANIA (US) 2023-03-30 US claimed
US-8044035-B2 Pharmaceutical compositions of pyrimidine-2,4,6-triones UNIVERSITE DE LIEGE (BE) 2011-10-25 US claimed
JP-4787240-B2 2011-10-05 JP claimed
US-20100261672-A1 PHARMACEUTICAL COMPOSITIONS OF PYRIMIDINE-2,4,6-TRIONES UNIVERSITE DE LIEGE (BE) 2010-10-14 US claimed
EP-1737464-B1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF BRONCHIAL INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed
US-20070225253-A1 Use of a trioxopyrimidine for the treatment and prevention of bronchial inflammatory diseases F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 US claimed
US-20070191404-A1 Pharmaceutical compositions of pyrimidine-2,4,6-triones HOFFMANN-LA ROCHE INC. 2007-08-16 US claimed
EP-1735007-A2 CYCLODEXTRIN INCLUSION COMPLEXES OF PYRIMIDINE-2,4,6-TRIONES F.HOFFMANN-LA ROCHE AG (CH) 2006-12-27 EP claimed
WO-2005097058-A2 CYCLODEXTRIN INCLUSIONS COMPLEXES OF PYRIMIDINE-2,4,6-TRIONES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-20 WO claimed
WO-2004084902-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT OF CHRONIC WOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO claimed
EP-3226909-B1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2026-04-15 EP disclosed
EP-3964242-B1 SURGICAL STAPLER WITH END EFFECTOR COATING CILAG GMBH INT (CH) 2026-02-18 EP disclosed
US-20250221991-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER METASTASES UNIVERSITY OF CINCINNATI (US) 2025-07-10 US disclosed
US-11992216-B2 Surgical stapler with end effector coating CILAG GMBH INTERNATIONAL (CH) 2024-05-28 US disclosed
WO-2004110457-A1 MATRIX METALLOPROTEINASES INHIBITORS FOR THE STIMULATION AND PROTECTION OF BONE MARROW STEM CELLS F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
WO-2004084902-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT OF CHRONIC WOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004084903-A1 USE OF A TRIOXOPYRIMIDINE FOR THE TREATMENT AND PREVENTION OF OCULAR PATHOLOGIC ANGIOGENESIS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
WO-2004037286-A2 COMBINATION OF A TRIOXOPYRIMIDINE COMPOUND INHIBITOR AND AN ANTI-TUMOR AGENT, AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-06 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 (3 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-20070191404-A1 Pharmaceutical compositions of pyrimidine-2,4,6-triones TK1, TYMP, TYMS MMP2 4254/4885MMP9 4163/4885MMP13 4515/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MMP2 8/4885MMP9 1/4885MMP13 7/4885
US-20100261672-A1 PHARMACEUTICAL COMPOSITIONS OF PYRIMIDINE-2,4,6-TRIONES TYMP, DPYD, TYMS MMP2 4282/4885MMP9 4156/4885MMP13 4662/4885

“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.