SCHEMBL5843850

SCHEMBL5843850

O=C(O)CNc1ccccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.63
PTGER1 P34995 2/20 0.60
PTGER4 P35408 2/20 0.60
PTGER3 P43115 2/20 0.60
PTGER2 P43116 2/20 0.60
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
PPIA P62937 3/20 0.50
SGMS2 Q8NHU3 2/20 0.50
NPC1 O15118 1/20 0.48
ALPG P10696 1/20 0.47
PTK2B Q14289 1/20 0.47
GAA P10253 2/20 0.47
THRB P10828 2/20 0.47
LIPE Q05469 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL19034905 0.85 TDP1 (0.61) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL5516797 0.85 L3MBTL1 (0.56) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL4281333 0.82 BRD4 (0.65) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL5297530 0.82 L3MBTL1 (0.62) TDP1L3MBTL1NPC1GAATHRB
SCHEMBL3619403 0.80 BRD4 (0.77) BRD4TDP1L3MBTL1PPIASGMS2
SCHEMBL8113906 0.80 MRGPRX4 (0.50) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL4297414 0.79 BRD4 (0.74) BRD4TDP1L3MBTL1PPIASGMS2
SCHEMBL3927268 0.79 CYP19A1 (0.48) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL9461095 0.78 BRD4 (0.59) BRD4TDP1L3MBTL1PPIASGMS2
SCHEMBL29557428 0.78 POLB (0.56) NPC1GAAMAPTKDM4EMEN1

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-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US disclosed
EP-1299379-A2 LACTAM METALLOPROTEASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-09 EP disclosed
US-20020042398-A1 Novel lactam metalloprotease inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-11 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 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-20020042398-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 BRD4 1453/4885PTGER1 1250/4885PTGER4 2797/4885
US-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE BRD4 2378/4885PTGER1 2534/4885PTGER4 3862/4885

“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.