SCHEMBL6256399

SCHEMBL6256399

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C#CCc3cccc(Br)c3)sc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.39
STAT6 P42226 1/20 0.39
HTT P42858 1/20 0.39
PRNP P04156 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL7022321 0.92 MMP13 (0.55) ALDH1A1HIF1AHPGDMAPK1MMP13
SCHEMBL6736580 0.91 MMP13 (0.50) ALDH1A1HIF1AHPGDMAPK1MMP13
SCHEMBL6917545 0.91 ALDH1A1 (0.47) ALDH1A1HIF1AHPGDMAPK1MEN1
SCHEMBL6471873 0.90 ALDH1A1 (0.45) ALDH1A1HIF1AHPGDMAPK1MMP13
SCHEMBL6731016 0.89 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1MMP13SLC22A8
SCHEMBL6724637 0.89 MAPT (0.49) ALDH1A1MMP13SLC22A8KMT2ATSHR
SCHEMBL6732883 0.88 MAPT (0.47) ALDH1A1HPGDMMP13SLC22A8LMNA
SCHEMBL6724551 0.86 ALDH1A1 (0.48) ALDH1A1HIF1AMAPK1MMP13SLC22A8
SCHEMBL6470701 0.86 MMP13 (0.44) ALDH1A1HIF1AHPGDMMP13SLC22A8
SCHEMBL6734552 0.86 MMP13 (0.51) ALDH1A1HPGDMMP13SLC22A8MEN1

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 8 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
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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 (3 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 812/4885HIF1A 2757/4885HPGD 193/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ALDH1A1 1764/4885HIF1A 3489/4885HPGD 247/4885
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 878/4885HIF1A 2939/4885HPGD 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.