SCHEMBL1815938

SCHEMBL1815938

O=C(CNCc1ccccc1)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 1.00
ADAMTS4 O75173 1/20 0.70
TP53 P04637 2/20 0.58
POLB P06746 1/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HSP90AA1 P07900 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58

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 0.91 ADAMTS5 (0.88) ADAMTS5MEN1HSP90AA1RAB9AKMT2A
SCHEMBL1813355 0.88 ADAMTS5 (0.79) ADAMTS5ADAMTS4TP53POLBMEN1
SCHEMBL1814802 0.88 ADAMTS5 (1.00) ADAMTS5ADAMTS4HSP90AA1RAB9A
SCHEMBL1813036 0.87 ADAMTS5 (1.00) ADAMTS5POLBHSP90AA1RAB9A
SCHEMBL1819372 0.87 ADAMTS5 (0.77) ADAMTS5ADAMTS4TP53POLBHSP90AA1
SCHEMBL1812427 0.87 ADAMTS5 (0.81) ADAMTS5MEN1HSP90AA1RAB9AKMT2A
SCHEMBL27778697 0.87 ADAMTS5 (0.82) ADAMTS5HSP90AA1RAB9A
SCHEMBL610254 0.87 ADAMTS5 (0.76) ADAMTS5ADAMTS4TP53POLBMEN1
SCHEMBL1816806 0.86 ADAMTS5 (0.76) ADAMTS5ADAMTS4TP53POLBMEN1
SCHEMBL1815205 0.86 ADAMTS5 (0.79) ADAMTS5MEN1HSP90AA1RAB9AKMT2A

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 11/4885ADAMTS4 14/4885TP53 1687/4885

“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.