SCHEMBL6916378

SCHEMBL6916378

COc1cccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)OCCN(C)C)cc4)c(=O)n(C)c3s2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 4/20 0.42
ROCK2 O75116 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL6280233 0.90 MAPT (0.51) MAPTGAATP53KDM4EHPGD
SCHEMBL6916309 0.87 MMP13 (0.55) MAPTGAATP53KDM4EHPGD
SCHEMBL6431106 0.86 MAPT (0.47) MAPTGAATP53KDM4EHPGD
SCHEMBL6474162 0.86 MAPT (0.56) MAPTGAATP53KDM4EHPGD
SCHEMBL6253474 0.84 MAPT (0.51) MAPTGAATP53KDM4EHPGD
SCHEMBL7032480 0.84 MAPT (0.51) MAPTGAATP53KDM4EHPGD
SCHEMBL6253497 0.83 MAPT (0.53) MAPTGAATP53KDM4EHPGD
SCHEMBL6258396 0.83 MAPT (0.51) MAPTGAATP53KDM4EHPGD
SCHEMBL6273021 0.82 MAPT (0.48) MAPTGAATP53KDM4EHPGD
SCHEMBL6257509 0.82 MAPT (0.49) MAPTGAATP53KDM4EHPGD

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MAPT 4800/4885GAA 3750/4885TP53 4652/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1774/4885GAA 1012/4885TP53 2718/4885

“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.