SCHEMBL4069092

SCHEMBL4069092

CC(C)(C)OC(=O)NCCCCNc1c(N)cnc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
BRD4 O60885 3/20 0.42
NMT1 P30419 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSR P00390 1/20 0.40

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
SCHEMBL1233009 0.98 HDAC1 (0.43) HDAC1CA12CA1CA2CA9
SCHEMBL1232717 0.95 HDAC1 (0.44) HDAC1CA12CA1CA2CA9
SCHEMBL1486571 0.88 BRD4 (0.43) HDAC1BRD4NMT1MAPTGSR
SCHEMBL4394795 0.86 BCL2 (0.46) BRD4MAPTL3MBTL1
SCHEMBL5412667 0.85 NPC1 (0.52) HDAC1NMT1
SCHEMBL1231851 0.85 BCL2 (0.46) BRD4MAPTL3MBTL1
SCHEMBL1034070 0.84 BRD4 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL29475728 0.84 BRD4 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL30503514 0.84 BRD4 (0.47) CA12CA1CA2CA9BRD4
SCHEMBL1486484 0.83 NMT1 (0.39) HDAC1BRD4NMT1MAPTGSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 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 (3 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 HDAC1 1114/4885CA12 4453/4885CA1 4045/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 HDAC1 1114/4885CA12 4453/4885CA1 4045/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 HDAC1 1114/4885CA12 4453/4885CA1 4045/4885

“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.