SCHEMBL1812584

SCHEMBL1812584

O=C(COc1ccccc1)NC(c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 2/20 0.77
▸ KDM4E B2RXH2 1/20 0.77
▸ ADAMTS5 Q9UNA0 18/20 0.76
▸ LMNA P02545 1/20 0.76
▸ HSP90AA1 P07900 1/20 0.76
▸ HSPA5 P11021 1/20 0.76
▸ HTT P42858 1/20 0.76
▸ RAB9A P51151 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ ADAMTS4 O75173 2/20 0.70

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
SCHEMBL1814120 0.95 ADAMTS5 (0.76) ALOX12KDM4EADAMTS5LMNAHSP90AA1
SCHEMBL1811953 0.90 ADAMTS5 (0.75) ALOX12KDM4EADAMTS5ADAMTS4
SCHEMBL30876562 0.88 ALOX12 (0.85) ALOX12KDM4EADAMTS5LMNAHSP90AA1
SCHEMBL24634665 0.88 ALOX12 (0.85) ALOX12KDM4EADAMTS5LMNAHSP90AA1
SCHEMBL1817243 0.88 ADAMTS5 (0.73) ALOX12KDM4EADAMTS5LMNAHSP90AA1
SCHEMBL13236180 0.87 ALOX12 (1.00) ALOX12KDM4EADAMTS5LMNAHSP90AA1
SCHEMBL1816505 0.87 ADAMTS5 (0.86) ADAMTS5ADAMTS4
SCHEMBL1815616 0.87 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1814568 0.87 ADAMTS5 (1.00) ADAMTS5ADAMTS4
SCHEMBL1812659 0.87 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
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
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 ALOX12 594/4885KDM4E 4164/4885ADAMTS5 11/4885

“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.

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