SCHEMBL1815608

SCHEMBL1815608

O=C(CNCc1cccnc1)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 14/20 0.78
MEN1 O00255 2/20 0.67
HTT P42858 2/20 0.67
KMT2A Q03164 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSP90AA1 P07900 2/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.59
KDM4E B2RXH2 2/20 0.58
ALOX12 P18054 2/20 0.58
L3MBTL1 Q9Y468 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 0.94 ADAMTS5 (0.88) ADAMTS5MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1812427 0.91 ADAMTS5 (0.81) ADAMTS5MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1815205 0.89 ADAMTS5 (0.79) ADAMTS5MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1813036 0.88 ADAMTS5 (1.00) ADAMTS5HSP90AA1NPC1RAB9AKDM4E
SCHEMBL27778697 0.87 ADAMTS5 (0.82) ADAMTS5HSP90AA1NPC1RAB9AKDM4E
SCHEMBL1812475 0.86 ADAMTS5 (0.73) ADAMTS5MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1814802 0.86 ADAMTS5 (1.00) ADAMTS5HSP90AA1NPC1RAB9AKDM4E
SCHEMBL1815938 0.85 ADAMTS5 (1.00) ADAMTS5MEN1KMT2AHSP90AA1RAB9A
SCHEMBL1814720 0.84 ADAMTS5 (0.71) ADAMTS5MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1814541 0.84 ADAMTS5 (0.78) ADAMTS5MEN1HTTKMT2ASMN1; SMN2

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 11/4885MEN1 2254/4885HTT 334/4885

“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.