SCHEMBL6513615

SCHEMBL6513615

Cn1c(=O)n(CCc2ccccc2)c(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HDAC6 Q9UBN7 10/20 0.53
HDAC1 Q13547 8/20 0.53
HDAC8 Q9BY41 8/20 0.52
HDAC11 Q96DB2 4/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
MELK Q14680 1/20 0.50
MAPT P10636 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL6241073 0.89 MMP13 (0.71) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL6514974 0.81 MMP13 (0.59) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL7105420 0.80 MMP13 (0.58) MMP13SLC22A8KDM4EHDAC1ALDH1A1
SCHEMBL7012936 0.80 MMP13 (0.61) MMP13SLC22A8HDAC6HDAC1HPGD
SCHEMBL7013269 0.80 MMP13 (0.58) MMP13SLC22A8KDM4EHDAC1ALDH1A1
SCHEMBL6255189 0.80 MMP13 (0.58) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL7106186 0.79 MMP13 (0.62) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL6253605 0.79 MMP13 (0.62) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL7100616 0.79 MMP13 (0.62) MMP13SLC22A8KDM4EHDAC6HDAC1
SCHEMBL27588027 0.79 MAPT (0.52) MMP13SLC22A8HDAC6HDAC1HDAC8

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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 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 (2 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 315/4885KDM4E 1784/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885KDM4E 2484/4885

“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.