SCHEMBL6683259

SCHEMBL6683259

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)SC(C(=O)OCc1ccc(F)cc1)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
P2RX3 P56373 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
TRPC5 Q9UL62 2/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32

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 0.89 L3MBTL1 (0.42) ALDH1A1NPSR1FABP7FABP5TP53
SCHEMBL6680969 0.86 KDM4E (0.38) ALDH1A1NPSR1KMT2AL3MBTL1
SCHEMBL6678209 0.85 ALDH1A1 (0.38) ALDH1A1P2RX3KMT2AL3MBTL1TSHR
SCHEMBL6788504 0.84 ALDH1A1 (0.39) ALDH1A1NPSR1KMT2APKMTSHR
SCHEMBL7127235 0.80 ADORA2A (0.33) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6790883 0.79 TP53 (0.36) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6679197 0.73 ALDH1A1 (0.49) ALDH1A1KMT2AL3MBTL1TSHR
SCHEMBL7116975 0.71 TP53 (0.35) ALDH1A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6679503 0.71 TRPA1 (0.42) ALDH1A1NPSR1TP53KMT2A
SCHEMBL7125681 0.71 L3MBTL1 (0.41) ALDH1A1NPSR1FABP7FABP5TP53

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 ALDH1A1 812/4885ADORA3 1377/4885ADORA2A 2843/4885

“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.