SCHEMBL6682049

SCHEMBL6682049

CCNC(=O)Nc1ccc(Cn2c(=O)c(C)c3n(c2=O)C=C(C(=O)O)OC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPA1 O75762 4/20 0.33
MTHFD2 P13995 1/20 0.33
GHSR Q92847 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE1B Q01064 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 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
SCHEMBL6682685 0.83 TRPA1 (0.35) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6682079 0.83 NOTUM (0.40) RAB9ALMNAALDH1A1KDM4EMAPK1
SCHEMBL6684000 0.81 ABCB1 (0.35) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6678978 0.67 ABCB1 (0.35) ABCB1RAB9ANPC1TP53POLB
SCHEMBL7062180 0.67 MTHFD2 (0.39) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6681435 0.66 THRB (0.43) RAB9ANPC1TP53MAPTALDH1A1
SCHEMBL6678863 0.63 MTHFD2 (0.39) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6679666 0.62 MTHFD2 (0.38) ABCB1RAB9ANPC1TP53POLB
SCHEMBL23560422 0.62 MTNR1B (0.57) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL6684992 0.62 TRPA1 (0.39) RAB9ALMNAKDM4EHSD17B10TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US 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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 ABCB1 557/4885RAB9A 672/4885NPC1 1882/4885

“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.