SCHEMBL4189712

SCHEMBL4189712

O=C1Nc2c(cccc2-c2ccoc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.50
DAO P14920 2/20 0.50
NSD2 O96028 1/20 0.50
BCHE P06276 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LIG1 P18858 1/20 0.46
CASP3 P42574 1/20 0.40
CASP2 P42575 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
IMPDH2 P12268 2/20 0.38
NAT1 P18440 3/20 0.37
POLB P06746 1/20 0.34
PIK3CG P48736 1/20 0.33
GSK3B P49841 1/20 0.32

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
SCHEMBL950588 0.77 CES1 (0.58) CES1DAONSD2BCHEL3MBTL1
SCHEMBL17038519 0.72 L3MBTL1 (0.55) CES1DAONSD2BCHEL3MBTL1
SCHEMBL4180952 0.70 CES1 (0.50) CES1DAONSD2BCHEL3MBTL1
SCHEMBL26259973 0.69 IMPDH2 (0.55) IMPDH2
SCHEMBL30775272 0.69 CLK4 (0.51) GSK3B
SCHEMBL17038548 0.69 L3MBTL1 (0.55) CES1DAONSD2BCHEL3MBTL1
SCHEMBL4731147 0.68 PTPRC (0.54) CES1DAONSD2BCHEL3MBTL1
SCHEMBL1247382 0.67 CES1 (1.00) CES1DAONSD2BCHEL3MBTL1
SCHEMBL505703 0.67 CES1 (0.60) CES1DAONSD2BCHEL3MBTL1
SCHEMBL281604 0.67 CES1 (0.60) CES1DAONSD2BCHEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-20090076077-A1 Methods and Compositions for Selectin Inhibition WYETH (US) 2009-03-19 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
US-7465799-B2 Methods and compositions for selectin inhibition WYETH (US) 2008-12-16 US disclosed
CN-1902179-A Methods and compositions for selectin inhibition WYETH CORP (US) 2007-01-24 CN disclosed
EP-1682511-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 EP disclosed
WO-2005047257-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 WO disclosed
US-20050101568-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 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 (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-20050101568-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL CES1 707/4885DAO 1610/4885NSD2 4259/4885
US-20090076077-A1 Methods and Compositions for Selectin Inhibition SELP, SELE, SELL CES1 883/4885DAO 1574/4885NSD2 4314/4885

“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.