SCHEMBL6514974

SCHEMBL6514974

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)CCc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
HPD P32754 2/20 0.50
PARG Q86W56 2/20 0.50
HDAC1 Q13547 9/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC8 Q9BY41 6/20 0.48
HDAC11 Q96DB2 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
MELK Q14680 1/20 0.47
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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 0.87 MMP13 (0.71) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL6245488 0.83 MMP13 (0.60) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL6513615 0.81 MMP13 (0.58) MMP13SLC22A8HDAC1HDAC6HDAC8
SCHEMBL6244271 0.81 MMP13 (0.58) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL6517292 0.81 MAPT (0.59) MMP13SLC22A8PARGHDAC1HDAC6
SCHEMBL7100728 0.79 MMP13 (0.52) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL7012936 0.79 MMP13 (0.61) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL10084721 0.78 TP53 (0.63) MMP13SLC22A8PARGMAPT
SCHEMBL6253605 0.78 MMP13 (0.62) MMP13SLC22A8HPDPARGHDAC1
SCHEMBL7100616 0.78 MMP13 (0.62) MMP13SLC22A8HPDPARGHDAC1

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 7 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
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 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 (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 315/4885HPD 444/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885HPD 1241/4885

“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.