SCHEMBL6708293

SCHEMBL6708293

CN1C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)Cc2cc(C#CCCc3ccccc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
GRM5 P41594 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
NR3C1 P04150 1/20 0.34
MMP13 P45452 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL5697101 0.92 MMP13 (0.41) PKMPRMT5WDR77GRM5OPRM1
SCHEMBL6705933 0.84 POLB (0.39) PKMPRMT5WDR77MMP13KDM4E
SCHEMBL6706048 0.83 MMP13 (0.37) PKMPRMT5WDR77MMP13
SCHEMBL6706896 0.83 CYP3A4 (0.36) PKMPRMT5WDR77MMP13ERCC5
SCHEMBL6704758 0.82 GRM5 (0.44) FFAR1FFAR4GRM5MMP13
SCHEMBL6706809 0.80 MMP13 (0.42) GRM5MMP13
SCHEMBL6706938 0.79 MMP13 (0.41) PKMMMP13
SCHEMBL6706842 0.79 MMP13 (0.48) PRMT5WDR77GRM5MMP13
SCHEMBL6915307 0.78 MMP13 (0.39) FFAR1FFAR4GRM5MMP13HRH3
SCHEMBL6706100 0.77 MMP13 (0.42) GRM5OPRM1OPRL1MMP13KDM4E

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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US claimed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed
US-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 US disclosed
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 PKM 1034/4885FFAR1 3166/4885FFAR4 2041/4885

“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.