SCHEMBL5332989

SCHEMBL5332989

O=C(NCc1cccnc1)c1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.83
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
LMNA P02545 1/20 0.78
MAPK1 P28482 1/20 0.78
MMP13 P45452 1/20 0.78
AURKA O14965 1/20 0.70
TSHR P16473 3/20 0.68
PKM P14618 1/20 0.68
HSD17B10 Q99714 2/20 0.67
POLB P06746 2/20 0.63
ALDH1A1 P00352 2/20 0.62
ROCK2 O75116 1/20 0.60
NPC1 O15118 1/20 0.58
HSP90AA1 P07900 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL5335238 0.88 MEN1 (1.00) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL5334358 0.86 MEN1 (0.90) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL5335082 0.83 MEN1 (0.90) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL14082515 0.83 HPGD (0.78) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL5213575 0.83 HPGD (0.77) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL3722808 0.81 MEN1 (0.85) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL28999862 0.81 CYP1A2 (0.64) HPGDMEN1KMT2AMAPK1TSHR
SCHEMBL4925396 0.81 MEN1 (0.84) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL108263 0.80 ALDH1A1 (0.92) HPGDMEN1KMT2ALMNAMAPK1
SCHEMBL2259932 0.80 HPGD (0.62) HPGDMEN1KMT2ALMNAMAPK1

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
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US claimed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US claimed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US claimed
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
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-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US 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 HPGD 353/4885MEN1 3554/4885KMT2A 3382/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HPGD 247/4885MEN1 4353/4885KMT2A 1264/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 HPGD 189/4885MEN1 4185/4885KMT2A 2496/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 HPGD 148/4885MEN1 4110/4885KMT2A 1331/4885

“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.