SCHEMBL5338148

SCHEMBL5338148

COc1ccc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.74
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
TSHR P16473 1/20 0.73
BLM P54132 1/20 0.73
HPGD P15428 3/20 0.72
TP53 P04637 1/20 0.72
GLA P06280 1/20 0.72
CYP2C19 P33261 1/20 0.72
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
NR1H4 Q96RI1 1/20 0.65
PPARA Q07869 3/20 0.63
PPARG P37231 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
UBE2N P61088 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL5335138 0.94 CYP1A2 (0.66) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL5335143 0.94 CYP1A2 (0.66) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL5332367 0.89 CYP1A2 (0.66) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL28859140 0.89 NR1H4 (0.82) L3MBTL1HPGDALDH1A1LMNANR1H4
SCHEMBL5339939 0.89 KMT2A (0.61) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL5339943 0.89 KMT2A (0.61) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL5334043 0.88 CYP1A2 (0.65) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL5336963 0.87 MMP13 (0.74) L3MBTL1CYP1A2CYP3A4TSHRBLM
SCHEMBL20057683 0.86 L3MBTL1 (0.74) L3MBTL1CYP3A4HPGDTP53GLA
SCHEMBL12132683 0.86 HDAC8 (0.68) L3MBTL1CYP1A2CYP3A4TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US 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
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 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-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-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US disclosed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (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 (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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 L3MBTL1 2307/4885CYP1A2 857/4885CYP3A4 354/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 L3MBTL1 1838/4885CYP1A2 3013/4885CYP3A4 1725/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 L3MBTL1 1510/4885CYP1A2 804/4885CYP3A4 824/4885

“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.