SCHEMBL1457532

SCHEMBL1457532

CCOCc1nc2c(Cl)nc3ccccc3c2n1CCCc1cc(-c2ccccc2)no1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.47
TLR7 Q9NYK1 11/20 0.44
NUDT1 P36639 1/20 0.43
DRD2 P14416 7/20 0.42
DRD4 P21917 7/20 0.42
DRD3 P35462 7/20 0.42
MAPT P10636 1/20 0.37

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
SCHEMBL1456913 0.93 TLR8 (0.42) TLR8TLR7NUDT1DRD2DRD4
SCHEMBL1456937 0.90 TLR8 (0.47) TLR8TLR7NUDT1
SCHEMBL1456861 0.90 TLR8 (0.60) TLR8TLR7NUDT1
SCHEMBL1457538 0.89 TLR7 (0.47) TLR8TLR7NUDT1MAPT
SCHEMBL1457535 0.83 TLR7 (0.44) TLR8TLR7NUDT1
SCHEMBL1456656 0.83 TLR8 (0.54) TLR8TLR7NUDT1
SCHEMBL1456987 0.82 TLR7 (0.42) TLR8TLR7NUDT1
SCHEMBL1456868 0.80 TLR8 (0.61) TLR8TLR7NUDT1
SCHEMBL1456611 0.79 TLR7 (0.48) TLR8TLR7NUDT1
SCHEMBL1456682 0.79 TLR7 (0.45) TLR8TLR7DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 TLR8 541/4885TLR7 137/4885NUDT1 350/4885

“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.