SCHEMBL6212237

SCHEMBL6212237

CN(C(=O)c1ccc2c(c1)c(=O)n(Cc1ccc(CC(=O)O)cc1)c1nncn21)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CNR2 P34972 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRMT5 O14744 4/20 0.33
MMP13 P45452 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
PPARG P37231 1/20 0.33
NPY5R Q15761 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6212605 0.82 PIK3CA (0.46) KDM4EALDH1A1SMN1; SMN2MMP13NPY5R
SCHEMBL6214063 0.80 MMP13 (0.38) KMT2AKDM4ECNR2PTGDR2ALDH1A1
SCHEMBL6213121 0.76 MMP13 (0.49) KDM4EALDH1A1SMN1; SMN2MMP13PPARG
SCHEMBL6215775 0.75 MMP13 (0.47) KMT2AKDM4EALDH1A1SMN1; SMN2MMP13
SCHEMBL6214058 0.75 MMP13 (0.54) KMT2AMMP13SLC22A8PPARGMEN1
SCHEMBL6213639 0.74 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MMP13NPY5R
SCHEMBL6211185 0.74 CNR2 (0.49) KMT2AKDM4ECNR2ALDH1A1SMN1; SMN2
SCHEMBL6214009 0.73 PPARG (0.46) ALDH1A1MMP13PPARG
SCHEMBL6512116 0.73 PPARG (0.41) PPARG
SCHEMBL6213339 0.71 PIK3CA (0.44) ALDH1A1MMP13NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US claimed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US claimed
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP disclosed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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
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-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 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 (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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 CYP26B1 1699/4885NR1H4 2559/4885KMT2A 2962/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 CYP26B1 363/4885NR1H4 1838/4885KMT2A 1264/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 CYP26B1 827/4885NR1H4 2510/4885KMT2A 1558/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 CYP26B1 627/4885NR1H4 2796/4885KMT2A 2130/4885
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 CYP26B1 604/4885NR1H4 2290/4885KMT2A 1107/4885

“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.