SCHEMBL4756694

SCHEMBL4756694

CCCCc1nc2c[n+]([O-])c3ccccc3c2n1NC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
XBP1 P17861 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4804117 0.84 TLR8 (0.34) ALDH1A1MEN1KMT2ATLR7TSHR
SCHEMBL4756388 0.83 PDE4A (0.42) CNR1CNR2LMNAALDH1A1MAPK1
SCHEMBL4753949 0.80 NPC1 (0.34) LMNASMN1; SMN2TLR7GAAMAPT
SCHEMBL4757237 0.77 TLR7 (0.45) LMNAALDH1A1MAPK1PDE4APDE4B
SCHEMBL1951282 0.74 GAA (0.47) CNR1CNR2LMNAPDE4APDE4B
SCHEMBL1951281 0.74 GAA (0.47) CNR1CNR2LMNAPDE4APDE4B
SCHEMBL3971953 0.74 TLR7 (0.47) CNR1CNR2LMNAALDH1A1MAPK1
SCHEMBL4165388 0.74 CNR1 (0.43) CNR1CNR2LMNAALDH1A1MAPK1
SCHEMBL25950602 0.74 TLR7 (0.45) CNR1CNR2LMNAALDH1A1MAPK1
SCHEMBL17181525 0.72 TLR7 (0.53) LMNAPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 US 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 CNR1 1669/4885CNR2 2436/4885LMNA 3863/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 CNR1 1669/4885CNR2 2436/4885LMNA 3863/4885

“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.