SCHEMBL1813458

SCHEMBL1813458

Cc1cc(NCC(=O)NC(c2ccccc2Cl)c2cc(Cl)c3cccnc3c2O)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 1.00
ADAMTS4 O75173 1/20 0.64
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL1812599 0.89 ADAMTS5 (1.00) ADAMTS5POLBKDM4EALOX12
SCHEMBL1814287 0.88 ADAMTS5 (0.79) ADAMTS5ADAMTS4TP53POLB
SCHEMBL27757701 0.88 ADAMTS5 (0.79) ADAMTS5ADAMTS4TP53POLB
SCHEMBL1813923 0.88 ADAMTS5 (1.00) ADAMTS5KDM4EALOX12
SCHEMBL1810280 0.87 ADAMTS5 (0.77) ADAMTS5ADAMTS4TP53POLB
SCHEMBL1815144 0.86 ADAMTS5 (0.76) ADAMTS5ADAMTS4TP53POLB
SCHEMBL1812011 0.84 ADAMTS5 (0.80) ADAMTS5ADAMTS4TP53POLB
SCHEMBL1816099 0.84 ADAMTS5 (1.00) ADAMTS5ADAMTS4KDM4EALOX12
SCHEMBL2153807 0.83 ALOX12 (0.75) ADAMTS5ADAMTS4TP53POLBKDM4E
SCHEMBL24634764 0.82 HSP90AA1 (0.75) ADAMTS5ADAMTS4TP53POLBKDM4E

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 4 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
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
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.