SCHEMBL1813482

SCHEMBL1813482

O=C(CNCc1cccc2ccccc12)NC(c1ccccc1)c1cc(Br)c2cccnc2c1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 12/20 0.57
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HSP90AA1 P07900 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALOX12 P18054 4/20 0.51
PAX8 Q06710 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC2A1 P11166 1/20 0.47

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
SCHEMBL1814720 0.90 ADAMTS5 (0.71) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1814839 0.81 ADAMTS5 (0.63) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1819372 0.81 ADAMTS5 (0.77) ADAMTS5NPC1RAB9AHSP90AA1ALOX12
SCHEMBL1818368 0.79 ADAMTS5 (0.80) ADAMTS5
SCHEMBL1813726 0.77 ADAMTS5 (0.88) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1812475 0.76 ADAMTS5 (0.73) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1812427 0.75 ADAMTS5 (0.81) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1815205 0.74 ADAMTS5 (0.79) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL1815608 0.74 ADAMTS5 (0.78) ADAMTS5NPC1RAB9AHSP90AA1KMT2A
SCHEMBL27778697 0.73 ADAMTS5 (0.82) ADAMTS5NPC1RAB9AHSP90AA1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 11/4885NPC1 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.