SCHEMBL6916166

SCHEMBL6916166

Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2cc(C#CCc3ccc(Br)cc3)sc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 1/20 0.41
MMP13 P45452 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARG Q86W56 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
SCHEMBL6472380 0.93 MAPT (0.48) MAPTALDH1A1HPGDMMP13SLC22A8
SCHEMBL6917545 0.93 ALDH1A1 (0.47) MAPTALDH1A1HPGDHIF1ALMNA
SCHEMBL6470668 0.92 MAPT (0.44) MAPTALDH1A1HPGDMMP13SLC22A8
SCHEMBL6730295 0.92 MAPT (0.44) MAPTALDH1A1HPGDMMP13SLC22A8
SCHEMBL6471574 0.91 MAPT (0.43) MAPTALDH1A1HPGDHIF1AMMP13
SCHEMBL6736580 0.89 MMP13 (0.50) MAPTALDH1A1HPGDHIF1AMMP13
SCHEMBL6730469 0.89 MAPT (0.40) MAPTALDH1A1HPGDMMP13SLC22A8
SCHEMBL6916426 0.89 MAPT (0.53) MAPTALDH1A1HPGDHIF1AMMP13
SCHEMBL6913375 0.89 GRIN1 (0.46) MAPTALDH1A1HPGDMMP13SLC22A8
SCHEMBL6732883 0.89 MAPT (0.47) MAPTALDH1A1HPGDMMP13SLC22A8

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 4800/4885ALDH1A1 812/4885HPGD 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 MAPT 1774/4885ALDH1A1 878/4885HPGD 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.