SCHEMBL1812908

SCHEMBL1812908

O=C(CNCc1ccc2c(c1)OCO2)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 13/20 0.69
ALOX12 P18054 5/20 0.68
KDM4E B2RXH2 4/20 0.68
HSP90AA1 P07900 2/20 0.67
RAB9A P51151 2/20 0.67
HTT P42858 2/20 0.67
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
HSPA5 P11021 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NPC1 O15118 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL1816806 0.92 ADAMTS5 (0.76) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1813726 0.87 ADAMTS5 (0.88) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1815205 0.86 ADAMTS5 (0.79) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1812427 0.85 ADAMTS5 (0.81) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1815608 0.83 ADAMTS5 (0.78) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL27778697 0.83 ADAMTS5 (0.82) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1812475 0.82 ADAMTS5 (0.73) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1814720 0.82 ADAMTS5 (0.71) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL1813036 0.82 ADAMTS5 (1.00) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A
SCHEMBL24634665 0.81 ALOX12 (0.85) ADAMTS5ALOX12KDM4EHSP90AA1RAB9A

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-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
CN-101505751-A 8-hydroxyquinoline compounds and methods thereof WYETH CORP (US) 2009-08-12 CN 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
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 disclosed
CN-101505751-A 8-hydroxyquinoline compounds and methods thereof WYETH CORP (US) 2009-08-12 CN disclosed
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 11/4885ALOX12 594/4885KDM4E 4164/4885

“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.