SCHEMBL6682685

SCHEMBL6682685

CCNC(=O)Nc1ccc(Cn2c(=O)c(C)c3n(c2=O)C=C(C(=O)O)SC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.35
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 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
P2RX3 P56373 1/20 0.33
MTHFD2 P13995 1/20 0.33
ERCC5 P28715 1/20 0.33
GHSR Q92847 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
GAA P10253 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
SCHEMBL6682049 0.83 ABCB1 (0.35) TRPA1ABCB1RAB9ANPC1TP53
SCHEMBL6684000 0.81 ABCB1 (0.35) TRPA1ABCB1RAB9ANPC1TP53
SCHEMBL6678863 0.69 MTHFD2 (0.39) TRPA1ABCB1RAB9ANPC1TP53
SCHEMBL6683536 0.69 TRPA1 (0.45) TRPA1TP53POLBMAPTNPSR1
SCHEMBL6685457 0.67 ABCB1 (0.35) ABCB1RAB9ANPC1TP53POLB
SCHEMBL7062180 0.67 MTHFD2 (0.39) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6682079 0.64 NOTUM (0.40) TRPA1RAB9ALMNAMAPK1KDM4E
SCHEMBL6681175 0.63 ALDH1A1 (0.41) ABCB1RAB9ANPC1TP53POLB
SCHEMBL6679666 0.62 MTHFD2 (0.38) ABCB1RAB9ANPC1TP53POLB
SCHEMBL23560422 0.62 MTNR1B (0.57) RAB9ANPC1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004014354-A1 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US claimed
US-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004014354-A1 1,6-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-20040034009-A1 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP11 TRPA1 4681/4885ABCB1 557/4885RAB9A 672/4885

“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.