SCHEMBL6728453

SCHEMBL6728453

O=C(OCc1cc2ccccc2[nH]1)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MMP13 P45452 1/20 0.43
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
AKR1B1 P15121 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
TNNC1 P63316 1/20 0.38
MAPK10 P53779 2/20 0.38
ALOX5AP P20292 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 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
SCHEMBL6255608 0.93 MMP13 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6258644 0.87 MMP13 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6736359 0.85 MMP13 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6532276 0.83 MAPT (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6733658 0.83 TRPA1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6471846 0.82 MMP13 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6736336 0.82 MMP13 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL6513715 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL6259959 0.82 MMP13 (0.49) KDM4EALDH1A1HPGDSMN1; SMN2MMP13
SCHEMBL7033820 0.81 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2MMP13

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 4 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-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
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 KDM4E 1577/4885ALDH1A1 812/4885HPGD 193/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 KDM4E 476/4885ALDH1A1 1764/4885HPGD 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 KDM4E 559/4885ALDH1A1 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.