SCHEMBL4249965

SCHEMBL4249965

CCCn1c(COCC)nc2c[n+]([O-])c3ccc(OCC(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.40
KMT2A Q03164 2/20 0.39
ALK Q9UM73 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR1A P08908 4/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ADORA2B P29275 2/20 0.35
ADORA2A P29274 1/20 0.35
HPGD P15428 1/20 0.34
TP53 P04637 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
SCHEMBL4237814 0.87 GPR119 (0.44) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL4252038 0.86 SIRT3 (0.41) SIRT3KMT2AALKPDE3BPDE3A
SCHEMBL4242231 0.81 TLR7 (0.46) ALKPDE3BPDE3A
SCHEMBL4247825 0.81 TLR7 (0.41)
SCHEMBL4245869 0.76 F10 (0.34) KMT2A
SCHEMBL4245872 0.76 F10 (0.34) KMT2A
SCHEMBL5807942 0.76 HTR1A (0.39) KMT2AHTR1AHTR1DHTR1BPOLB
SCHEMBL1486648 0.75 TLR8 (0.37) KMT2ALMNATP53
SCHEMBL4246215 0.74 SMN1; SMN2 (0.37) KMT2APOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4242862 0.74 GPR119 (0.42) KMT2AKDM4EALDH1A1GAAHPGD

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 SIRT3 2116/4885KMT2A 2789/4885ALK 204/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 SIRT3 2116/4885KMT2A 2789/4885ALK 204/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 SIRT3 2116/4885KMT2A 2789/4885ALK 204/4885

“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.