SCHEMBL1815531

SCHEMBL1815531

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

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 12/20 0.78
NPC1 O15118 1/20 0.77
HSP90AA1 P07900 1/20 0.77
RAB9A P51151 1/20 0.77
KDM4E B2RXH2 3/20 0.70
ALOX12 P18054 3/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MEN1 O00255 1/20 0.68
HTT P42858 1/20 0.68
KMT2A Q03164 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL30876627 1.00 ADAMTS5 (0.78) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL24634708 0.91 HTT (0.68) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL29856345 0.91 HTT (0.68) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL1814541 0.89 ADAMTS5 (0.78) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL24634662 0.89 KDM1A (0.79) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL30876629 0.89 KDM1A (0.79) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL1814298 0.89 ADAMTS5 (0.76) ADAMTS5NPC1RAB9AKDM4EALOX12
SCHEMBL5095826 0.89 NPC1 (0.83) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL1814839 0.88 ADAMTS5 (0.63) ADAMTS5NPC1HSP90AA1RAB9AKDM4E
SCHEMBL27196486 0.88 ADAMTS5 (0.84) ADAMTS5NPC1HSP90AA1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 US disclosed
WO-2022169834-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-11 WO disclosed
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 (2 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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF HSPA5, HSPA2, PSMG3 ADAMTS5 3093/4885NPC1 2662/4885HSP90AA1 26/4885
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 ADAMTS5 11/4885NPC1 2196/4885HSP90AA1 101/4885

“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.