SCHEMBL5697269

SCHEMBL5697269

O=C(Cc1ccc(F)cc1)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 2/20 0.45
RORC P51449 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 3/20 0.44
MAPT P10636 3/20 0.43
MMP13 P45452 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL5697045 0.91 MMP13 (0.46) EPHX2NR1H4MEN1KMT2AHDAC1
SCHEMBL5697139 0.87 HDAC6 (0.53) EPHX2NR1H4LMNAMEN1KMT2A
SCHEMBL5697068 0.82 NTSR1 (0.52) LMNAMEN1MAPK1KMT2AHDAC1
SCHEMBL5696989 0.82 SCD (0.62) MMP13
SCHEMBL5697056 0.80 KMT2A (0.43) GAALMNAKMT2AHDAC1MAPT
SCHEMBL6181327 0.80 MMP13 (0.58) EPHX2NR1H4LMNAMMP13SMN1; SMN2
SCHEMBL2117375 0.76 HDAC6 (0.60) LMNAHDAC1HDAC3HDAC6ALDH1A1
SCHEMBL5697241 0.76 HDAC6 (0.49) LMNAMEN1KMT2AHDAC1MAPT
SCHEMBL5696961 0.76 MMP13 (0.54) GAAMEN1MAPK1KMT2AHDAC1
SCHEMBL5696963 0.74 MMP13 (0.61) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP claimed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 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 (3 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 GAA 749/4885EPHX2 942/4885NR1H4 1596/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 GAA 1311/4885EPHX2 2908/4885NR1H4 1148/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 GAA 235/4885EPHX2 1059/4885NR1H4 1570/4885

“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.