SCHEMBL6737183

SCHEMBL6737183

Cn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C(=O)NCc3ccc(O)cc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
HDAC1 Q13547 2/20 0.49
EGFR P00533 1/20 0.48
SRC P12931 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARG Q86W56 1/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PPARG P37231 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
RORC P51449 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL7100567 0.94 MMP13 (0.56) MMP13SLC22A8HDAC1MAPK1L3MBTL1
SCHEMBL7095851 0.93 MMP13 (0.65) MMP13SLC22A8HDAC1EGFRSRC
SCHEMBL6465766 0.91 MMP13 (0.55) MMP13SLC22A8HDAC1EGFRSRC
SCHEMBL7017013 0.90 PARG (0.52) MMP13SLC22A8HDAC1MAPK1L3MBTL1
SCHEMBL6432931 0.90 MMP13 (0.55) MMP13SLC22A8HDAC1EGFRSRC
SCHEMBL6732394 0.89 MMP13 (0.54) MMP13SLC22A8HDAC1EGFRSRC
SCHEMBL6259580 0.89 MMP13 (0.61) MMP13SLC22A8HDAC1MAPTKDM4E
SCHEMBL6517292 0.89 MAPT (0.59) MMP13SLC22A8HDAC1MAPK1L3MBTL1
SCHEMBL7100616 0.88 MMP13 (0.62) MMP13SLC22A8HDAC1L3MBTL1PARG
SCHEMBL6234634 0.85 MMP13 (0.58) MMP13HDAC1MAPTKDM4EPPARG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN 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
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 315/4885HDAC1 550/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885HDAC1 203/4885
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 1/4885SLC22A8 123/4885HDAC1 235/4885

“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.