SCHEMBL185381

SCHEMBL185381

O=C(NCc1ccc(F)cc1)c1cccc(C(=O)NCc2ccc(F)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 5/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
ALOX12 P18054 1/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
PPARG P37231 1/20 0.56
MAPK1 P28482 1/20 0.56
MMP13 P45452 1/20 0.56
CXCR4 P61073 1/20 0.56

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
SCHEMBL7175171 0.94 CFD (0.62) L3MBTL1HDAC2HDAC8HDAC6KMT2A
SCHEMBL20804634 0.91 L3MBTL1 (0.70) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL15165753 0.91 PPARG (0.64) L3MBTL1HDAC2HDAC8HDAC6KMT2A
SCHEMBL31324991 0.89 LMNA (0.60) L3MBTL1HDAC2HDAC8HDAC6KMT2A
SCHEMBL1155517 0.88 ALDH1A1 (0.72) L3MBTL1HDAC2HDAC8HDAC6KMT2A
SCHEMBL22305420 0.87 THRB (0.58) L3MBTL1HDAC2HDAC8HDAC6KMT2A
SCHEMBL6077802 0.85 L3MBTL1 (0.77) L3MBTL1HDAC8HDAC6KMT2AMEN1
SCHEMBL5338226 0.85 HPGD (0.63) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL23566425 0.84 GAA (0.66) L3MBTL1KMT2AMEN1ALDH1A1LMNA
SCHEMBL10294658 0.84 MEN1 (0.54) L3MBTL1KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
WO-2009152082-A1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-17 WO disclosed
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
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 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 (4 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 2307/4885HDAC2 379/4885HDAC8 439/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 L3MBTL1 1838/4885HDAC2 780/4885HDAC8 1147/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 L3MBTL1 1510/4885HDAC2 280/4885HDAC8 585/4885
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 L3MBTL1 2085/4885HDAC2 596/4885HDAC8 1184/4885

“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.