SCHEMBL5332234

SCHEMBL5332234

O=C(OCc1ccccc1)c1ccc(Br)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.60
KMT2A Q03164 4/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
LMNA P02545 4/20 0.59
ALDH1A1 P00352 7/20 0.56
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.51
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.48
CYP3A4 P08684 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL30901986 0.92 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6287009 0.88 KMT2A (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL17488406 0.88 ESR1 (0.49) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL257907 0.86 TDP1 (0.59) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL2580214 0.86 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL10253536 0.84 ALDH1A1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3497492 0.84 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL31737534 0.84 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3919885 0.84 KMT2A (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL19334199 0.84 ALDH1A1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA

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 6 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-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 (2 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 TDP1 4305/4885KMT2A 3382/4885SLC6A2 575/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 TDP1 2818/4885KMT2A 2496/4885SLC6A2 885/4885

“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.