SCHEMBL1486577

SCHEMBL1486577

Nc1cnc2cc(OCc3ccccc3)ccc2c1NCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2B Q13224 1/20 0.47
BCHE P06276 4/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RCE1 Q9Y256 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL1486462 0.89 MAOB (0.42) BCHEMAPTSMN1; SMN2CYP3A4GAA
SCHEMBL4067389 0.88 CYP3A4 (0.40) BCHEMAPTSMN1; SMN2CYP3A4GAA
SCHEMBL1486517 0.84 MAPT (0.41) BCHEMAPTSMN1; SMN2CYP3A4GAA
SCHEMBL1486571 0.84 BRD4 (0.43) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL27661082 0.84 NMT1 (0.41) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL4070566 0.82 EGFR (0.41) BCHEMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL311078 0.82 MAPT (0.37) MAPTCYP3A4RAB9AMEN1KMT2A
SCHEMBL1486504 0.82 MAPT (0.42) MAPTCYP3A4MEN1KMT2AGRM4
SCHEMBL4066480 0.82 NPC1 (0.41) BCHEMAPTSMN1; SMN2TP53RAB9A
SCHEMBL1486746 0.81 NPC1 (0.46) F2KCNH2GRIN2BBCHEMAPT

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 F2 4830/4885KCNH2 4376/4885GRIN2B 3252/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 F2 4768/4885KCNH2 4324/4885GRIN2B 2693/4885

“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.