SCHEMBL6736337

SCHEMBL6736337

O=C(OCc1ccccc1)c1cc2c(=O)n(-c3ccncc3)c(=O)[nH]c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.41
MMP13 P45452 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
P2RY1 P47900 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL7145713 0.93 MMP13 (0.43) MMP13HPGDALDH1A1NPC1GAA
SCHEMBL6259959 0.86 MMP13 (0.49) GCGRMMP13HPGDALDH1A1NPSR1
SCHEMBL6736981 0.81 ALDH1A1 (0.42) MMP13HPGDALDH1A1NPSR1GAA
SCHEMBL6258644 0.81 MMP13 (0.54) MMP13HPGDALDH1A1GAASMN1; SMN2
SCHEMBL6252407 0.80 MMP13 (0.45) MMP13HPGDALDH1A1GAASMN1; SMN2
SCHEMBL6729780 0.78 MMP13 (0.41) MMP13HPGDALDH1A1NPSR1GAA
SCHEMBL6269277 0.78 KDM4E (0.46) GCGRMMP13HPGDALDH1A1NPSR1
SCHEMBL6733106 0.77 ALDH1A1 (0.48) MMP13HPGDALDH1A1NPSR1GAA
SCHEMBL6472242 0.77 ADORA2B (0.42) GCGRMMP13HPGDALDH1A1SMN1; SMN2
SCHEMBL6471062 0.77 MMP13 (0.42) MMP13HPGDALDH1A1NPSR1GAA

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 GCGR 3794/4885MMP13 1/4885HPGD 193/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 GCGR 1832/4885MMP13 1/4885HPGD 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 GCGR 2086/4885MMP13 1/4885HPGD 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.