SCHEMBL4759007

SCHEMBL4759007

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1NCCCNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALPL P05186 2/20 0.35
TOP2A P11388 2/20 0.34
RAB9A P51151 1/20 0.34
TLR8 Q9NR97 4/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL4759011 1.00 TLR7 (0.35) TLR7SMN1; SMN2ALPLTOP2ARAB9A
SCHEMBL15205343 0.88 TLR7 (0.40) TLR7SMN1; SMN2ALPLTOP2ARAB9A
SCHEMBL15205345 0.88 TLR7 (0.40) TLR7SMN1; SMN2ALPLTOP2ARAB9A
SCHEMBL5811103 0.84 TLR8 (0.33) TLR7TLR8KMT2AKDM4EALDH1A1
SCHEMBL4819623 0.82 TLR8 (0.35) TLR7SMN1; SMN2TLR8KMT2AKDM4E
SCHEMBL4756426 0.81 TLR7 (0.41) TLR7SMN1; SMN2ALPLTOP2ATLR8
SCHEMBL4804117 0.78 TLR8 (0.34) TLR7TOP2ARAB9ATLR8KMT2A
SCHEMBL5346497 0.77 TLR7 (0.48) TLR7TLR8
SCHEMBL19475891 0.77 CTNNB1 (0.41) TLR7TOP2ATLR8KMT2AKDM4E
SCHEMBL5420489 0.77 TLR7 (0.56) TLR7TLR8NUDT1

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 6 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
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 TLR7 146/4885SMN1; SMN2 2646/4885ALPL 3120/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885SMN1; SMN2 2646/4885ALPL 3120/4885

“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.