SCHEMBL1814816

SCHEMBL1814816

COc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 0.75
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
MEN1 O00255 2/20 0.70
HTT P42858 2/20 0.70
KMT2A Q03164 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MITF O75030 1/20 0.69
LMNA P02545 1/20 0.69
HSP90AA1 P07900 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
ADAMTS4 O75173 2/20 0.66

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
SCHEMBL1811921 0.94 ADAMTS5 (0.82) ADAMTS5NPC1RAB9AMEN1HTT
SCHEMBL1816178 0.93 NPC1 (0.73) ADAMTS5NPC1RAB9AMEN1HTT
SCHEMBL1814162 0.90 ADAMTS5 (0.81) ADAMTS5NPC1RAB9AMEN1HTT
SCHEMBL1814582 0.89 ADAMTS5 (0.84) ADAMTS5ADAMTS4
SCHEMBL4044460 0.88 NPC1 (0.81) ADAMTS5NPC1RAB9AMEN1HTT
SCHEMBL1815454 0.87 ADAMTS5 (0.82) ADAMTS5ADAMTS4
SCHEMBL2153841 0.86 ADAMTS5 (1.00) ADAMTS5NPC1RAB9AKMT2ALMNA
SCHEMBL1818109 0.85 ADAMTS5 (0.85) ADAMTS5ADAMTS4
SCHEMBL1813723 0.85 ADAMTS5 (0.83) ADAMTS5NPC1RAB9AADAMTS4
SCHEMBL1816913 0.85 ADAMTS5 (0.87) ADAMTS5NPC1RAB9AKMT2AADAMTS4

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US claimed
EP-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 EP claimed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US claimed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 WO claimed
EP-2056823-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF Wyeth (US) 2009-05-13 EP disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US disclosed
WO-2008024922-A2 8-HYDROXYQUINOLINE COMPOUNDS AND METHODS THEREOF WYETH (US) 2008-02-28 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 (1 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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 ADAMTS5 11/4885NPC1 2196/4885RAB9A 699/4885

“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.