SCHEMBL1814802

SCHEMBL1814802

O=C(CNCc1ccccc1)NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 16/20 1.00
KDM4E B2RXH2 2/20 0.60
ALOX12 P18054 2/20 0.60
NPC1 O15118 1/20 0.58
HSP90AA1 P07900 1/20 0.58
RAB9A P51151 1/20 0.58
ADAMTS4 O75173 1/20 0.57

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
SCHEMBL1813726 0.92 ADAMTS5 (0.88) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1812427 0.88 ADAMTS5 (0.81) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815836 0.88 ADAMTS5 (0.78) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815938 0.88 ADAMTS5 (1.00) ADAMTS5HSP90AA1RAB9AADAMTS4
SCHEMBL27778697 0.87 ADAMTS5 (0.82) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815205 0.87 ADAMTS5 (0.79) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815608 0.86 ADAMTS5 (0.78) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1813036 0.86 ADAMTS5 (1.00) ADAMTS5KDM4EALOX12NPC1HSP90AA1
SCHEMBL1815286 0.86 ADAMTS5 (1.00) ADAMTS5KDM4EALOX12ADAMTS4
SCHEMBL1813898 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4

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-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
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 US 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
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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 (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 11/4885KDM4E 4164/4885ALOX12 594/4885

“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.