SCHEMBL6678562

SCHEMBL6678562

Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)SC(C(=O)OCc1ccc(F)cc1)=CN2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 2/20 0.40
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP13 P45452 1/20 0.38
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6681822 0.90 KDM4E (0.40) PKMALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL6790883 0.89 TP53 (0.36) PKMTP53ALDH1A1LMNAKMT2A
SCHEMBL6684265 0.85 MMP1 (0.43) L3MBTL1PKMTP53ALDH1A1LMNA
SCHEMBL6791261 0.84 TRPA1 (0.54) L3MBTL1TRPA1ALDH1A1LMNASMN1; SMN2
SCHEMBL6678512 0.82 SMN1; SMN2 (0.45) PKMGSK3BALDH1A1LMNASMN1; SMN2
SCHEMBL7118303 0.79 L3MBTL1 (0.41) L3MBTL1PKMPRKCAGSK3BTP53
SCHEMBL6789030 0.78 L3MBTL1 (0.42) L3MBTL1PKMPRKCAGSK3BTP53
SCHEMBL6679546 0.74 TRPA1 (0.43) L3MBTL1TRPA1ALDH1A1LMNASMN1; SMN2
SCHEMBL6679503 0.74 TRPA1 (0.42) TP53TRPA1ALDH1A1LMNASMN1; SMN2
SCHEMBL6259749 0.73 TRPA1 (0.49) L3MBTL1PKMTP53TRPA1ALDH1A1

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 L3MBTL1 2277/4885PKM 2081/4885PRKCA 3204/4885

“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.