SCHEMBL6730609

SCHEMBL6730609

O=C(OCc1cnon1)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
PSMD14 O00487 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL6729283 0.93 MMP13 (0.41) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6258644 0.85 MMP13 (0.54) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6736336 0.84 MMP13 (0.43) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6724916 0.84 KDM4E (0.43) MMP13KDM4EALDH1A1HPGDTSHR
SCHEMBL6735461 0.83 MMP13 (0.42) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6513715 0.82 ALDH1A1 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL6259959 0.82 MMP13 (0.49) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7035438 0.82 MMP13 (0.41) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7033820 0.81 ALDH1A1 (0.44) MMP13KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6736782 0.81 MMP13 (0.43) MMP13KDM4EALDH1A1HPGDSMN1; SMN2

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 6 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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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 MMP13 1/4885KDM4E 1577/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885KDM4E 476/4885ALDH1A1 1764/4885
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 MMP13 1/4885KDM4E 559/4885ALDH1A1 878/4885

“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.