SCHEMBL5697245

SCHEMBL5697245

COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccc(C(=O)OC(C)(C)C)cc2)C=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NLRP3 Q96P20 2/20 0.42
RAB9A P51151 1/20 0.41
PTGS2 P35354 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL5697144 0.89 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6273203 0.80 SMN1; SMN2 (0.50) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5697075 0.79 KDM6B (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5697054 0.75 NR1H2 (0.42) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL6177877 0.73 MAPT (0.41) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5922862 0.71 NPC1 (0.53) MAPTKMT2AMEN1RAB9A
SCHEMBL6700028 0.71 PIK3CA (0.37) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5697146 0.70 MMP13 (0.38)
SCHEMBL5697241 0.70 HDAC6 (0.49) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6697241 0.69 LMNA (0.48) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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
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 MAPT 3752/4885ALDH1A1 153/4885KMT2A 780/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MAPT 2528/4885ALDH1A1 3321/4885KMT2A 2900/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MAPT 4085/4885ALDH1A1 148/4885KMT2A 930/4885

“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.