SCHEMBL6512971

SCHEMBL6512971

Cn1c(=O)n(Cc2cccs2)c(=O)c2cc(C(=O)NCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.56
ALOX15 P16050 1/20 0.56
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
PPARG P37231 1/20 0.48
HDAC1 Q13547 2/20 0.47
MMP13 P45452 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RORC P51449 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL6517292 0.88 MAPT (0.59) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL6259785 0.85 MMP13 (0.52) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7095851 0.84 MMP13 (0.65) KDM4EMAPTHPGDMAPK1SMN1; SMN2
SCHEMBL7100567 0.83 MMP13 (0.56) KDM4EMAPTHPGDMAPK1SMN1; SMN2
SCHEMBL6532934 0.82 PPARG (0.56) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL7101956 0.81 MMP13 (0.54) KDM4EMAPTHPGDMAPK1SMN1; SMN2
SCHEMBL6246256 0.81 MAPT (0.58) KDM4EMAPTSMN1; SMN2PPARGHDAC1
SCHEMBL6510494 0.81 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7097679 0.80 MMP13 (0.60) KDM4EMAPTHPGDMAPK1SMN1; SMN2
SCHEMBL7180717 0.80 PPARG (0.58) KDM4EMAPTGAAMAPK1PPARG

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
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

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 KDM4E 1784/4885ALDH1A1 1357/4885MAPT 4823/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 KDM4E 2484/4885ALDH1A1 4241/4885MAPT 2826/4885

“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.