SCHEMBL1486544

SCHEMBL1486544

CCCCc1nc2c(N)[n+]([O-])c3ccc(OCc4cccc(C#N)c4)cc3c2n1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AS3MT Q9HBK9 2/20 0.40
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
PPARG P37231 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TLR8 Q9NR97 1/20 0.36
HTR2C P28335 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM5 P41594 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL1486539 0.79 TLR7 (0.45) FFAR1FFAR4TLR7TLR8
SCHEMBL1486536 0.72 MEN1 (0.41) AS3MTMAOBTLR7
SCHEMBL1486525 0.72 TLR7 (0.57) TLR7TLR8
SCHEMBL1486587 0.71 TLR7 (0.61) TLR7TLR8
SCHEMBL1486681 0.66 MAOB (0.39) MAOBMAOATLR7PPARG
SCHEMBL1486602 0.66 TLR7 (0.37) MAOBMAOATLR7PPARG
SCHEMBL1486457 0.66 TLR7 (0.57) TLR7TLR8
SCHEMBL14163905 0.65 FFAR1 (0.63) MAOBMAOAFFAR1FFAR4CYP4F2
SCHEMBL1486561 0.64 IP6K1 (0.45) MAOBTLR7
SCHEMBL1486784 0.64 PSEN1 (0.38) MAOBTLR7PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 US disclosed
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 AS3MT 1846/4885MAOB 3487/4885MAOA 3446/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 AS3MT 1721/4885MAOB 3039/4885MAOA 3066/4885

“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.