SCHEMBL6916535

SCHEMBL6916535

CN(C)c1ccc(Cn2c(=O)c3cc(C(=O)OCc4ccccc4)sc3n(C)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
MMP13 P45452 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 4/20 0.39
TRPA1 O75762 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL6252686 0.92 MMP13 (0.53) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6236545 0.92 MMP13 (0.44) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6730796 0.91 MMP13 (0.49) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6533924 0.91 MMP13 (0.49) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6730615 0.90 MMP13 (0.43) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6476942 0.90 MMP13 (0.48) MAPTMMP13MEN1KMT2ATRPA1
SCHEMBL6470802 0.90 TRPA1 (0.48) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6724753 0.90 MMP13 (0.48) ALDH1A1MAPTHPGDMMP13MEN1
SCHEMBL6730265 0.90 MMP13 (0.48) MAPTMMP13MEN1KMT2ATRPA1
SCHEMBL6258183 0.90 MMP13 (0.48) ALDH1A1MAPTHPGDMMP13MEN1

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 ALDH1A1 812/4885MAPT 4800/4885HPGD 193/4885
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 ALDH1A1 878/4885MAPT 1774/4885HPGD 148/4885

“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.