SCHEMBL6680969

SCHEMBL6680969

Cn1c2c(c(=O)n(Cc3ccc(C#N)cc3)c1=O)SC(C(=O)OCc1ccc(F)cc1)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.35
HSD17B10 Q99714 1/20 0.34
BACE1 P56817 1/20 0.34
RGS4 P49798 1/20 0.34
RGS8 P57771 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 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
SCHEMBL6789030 0.90 L3MBTL1 (0.42) GAALMNAALDH1A1L3MBTL1NPSR1
SCHEMBL6683259 0.86 ALDH1A1 (0.35) ALDH1A1L3MBTL1NPSR1KMT2A
SCHEMBL6789742 0.85 LMNA (0.40) KDM4EGAALMNAHTTALDH1A1
SCHEMBL7118338 0.81 KDM4E (0.37) KDM4EGAALMNAHTTALDH1A1
SCHEMBL6681822 0.80 KDM4E (0.40) KDM4EGAALMNAHTTALDH1A1
SCHEMBL6679197 0.74 ALDH1A1 (0.49) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL7123266 0.72 KDM4E (0.39) KDM4EGAALMNAHTTALDH1A1
SCHEMBL6679546 0.72 TRPA1 (0.43) KDM4ELMNAHTTALDH1A1L3MBTL1
SCHEMBL6683575 0.71 GAA (0.46) GAALMNAHTTALDH1A1L3MBTL1
SCHEMBL7125681 0.71 L3MBTL1 (0.41) GAALMNAALDH1A1L3MBTL1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-FUSED URACIL 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 KDM4E 819/4885GAA 358/4885LMNA 3842/4885

“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.