SCHEMBL6917545

SCHEMBL6917545

Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2cc(C#CCc3cccc(Br)c3)sc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 1/20 0.47
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 8/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRNP P04156 1/20 0.38
TP53 P04637 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6470668 0.94 MAPT (0.44) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL6916166 0.93 MAPT (0.41) ALDH1A1HPGDHIF1AMAPK1LMNA
SCHEMBL6732883 0.91 MAPT (0.47) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL6256399 0.91 ALDH1A1 (0.50) ALDH1A1HPGDHIF1AMAPK1LMNA
SCHEMBL6730586 0.90 MAPT (0.51) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL6472380 0.90 MAPT (0.48) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL6916343 0.89 MAPT (0.43) MAPTKMT2A
SCHEMBL6730295 0.88 MAPT (0.44) ALDH1A1HPGDLMNATSHRMAPT
SCHEMBL6471804 0.87 MAPT (0.47) ALDH1A1HPGDHIF1AMAPK1LMNA
SCHEMBL6724870 0.87 MAPT (0.39) ALDH1A1HPGDLMNATSHRMAPT

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 812/4885HPGD 193/4885HIF1A 2757/4885
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 878/4885HPGD 148/4885HIF1A 2939/4885

“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.