SCHEMBL6218489

SCHEMBL6218489

O=C(O)c1ccc2[nH]c(=O)n(Cc3ccccc3)c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.65
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 5/20 0.55
HSD17B10 Q99714 3/20 0.55
MAPK10 P53779 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 3/20 0.54
HDAC1 Q13547 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51
MAPK8 P45983 1/20 0.51
HTT P42858 1/20 0.49

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
SCHEMBL6247549 0.91 MAPT (0.57) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6511873 0.90 HPGD (0.52) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9761035 0.90 ALDH1A1 (0.62) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL30882615 0.89 ALDH1A1 (0.65) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL20988954 0.89 ALDH1A1 (0.65) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6512772 0.88 KMT2A (0.70) ALDH1A1KDM4EMAPK10USP2MAPT
SCHEMBL2611397 0.87 KDM4E (0.59) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7020296 0.87 MAPT (0.57) HPGDALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL6244847 0.87 KDM4E (0.66) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL1067505 0.86 HPGD (0.78) HPGDALDH1A1KDM4ESMN1; SMN2LMNA

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 22 patents — showing the first 20. 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
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
EP-1536786-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
EP-1531904-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-25 EP disclosed
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN disclosed
US-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
WO-2004007024-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006913-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US 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
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (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 (5 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 HPGD 354/4885ALDH1A1 1202/4885KDM4E 1339/4885
US-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 HPGD 228/4885ALDH1A1 1357/4885KDM4E 1784/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 HPGD 397/4885ALDH1A1 4241/4885KDM4E 2484/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 HPGD 408/4885ALDH1A1 3754/4885KDM4E 2733/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 HPGD 215/4885ALDH1A1 2782/4885KDM4E 539/4885

“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.