SCHEMBL6661321

SCHEMBL6661321

O=C1CNC2NC(=O)NC(=O)C2N1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4205347 0.75 BACE1 (0.38) BACE1TSHRTDP1
SCHEMBL13805527 0.73 TSHR (0.44) BACE1TSHRTDP1
SCHEMBL14354358 0.67 TSHR (0.52) BACE1TSHRTDP1
SCHEMBL5803971 0.67
SCHEMBL7539674 0.67 TSHR (0.42) BACE1TSHRTDP1
SCHEMBL14061024 0.64 TSHR (0.41) BACE1TSHR
SCHEMBL9402140 0.64 MAPT (0.41) BACE1TSHRTDP1
SCHEMBL3215238 0.63 TSHR (0.48) BACE1TSHRTDP1
SCHEMBL1099591 0.63 TSHR (0.34) BACE1TSHRTDP1
SCHEMBL1099564 0.63 TSHR (0.34) BACE1TSHRTDP1

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
US-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors JOHNSON ADAM RICHARD (US) 2004-04-01 US disclosed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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 (2 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-20040063673-A1 Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 BACE1 43/4885TSHR 1435/4885TDP1 1705/4885
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 BACE1 321/4885TSHR 4387/4885TDP1 365/4885

“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.