Sugi Predict

Sugi Predict / Compounds / SCHEMBL2897450

SCHEMBL2897450

SCHEMBL2897450

CCCCC(=O)OCCCn1c(CCCC)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 6/20 0.43
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL1960054 0.90 TLR7 (0.42) TLR7ALDH1A1CNR1CNR2GAA
SCHEMBL4146569 0.87 CTNNB1 (0.48) ALDH1A1CNR1GAAKDM4ECTNNB1
SCHEMBL4165388 0.86 CNR1 (0.43) TLR7ALDH1A1CNR1CNR2GAA
SCHEMBL4144323 0.85 FAAH (0.46) TLR7ALDH1A1CNR1CNR2GAA
SCHEMBL2894935 0.83 TLR7 (0.49) TLR7ALDH1A1CNR1CNR2GAA
SCHEMBL1951281 0.83 GAA (0.47) TLR7CNR1CNR2GAAHTT
SCHEMBL5617629 0.82 TLR7 (0.42) TLR7CNR1CNR2LMNATP53
SCHEMBL4148442 0.81 SMN1; SMN2 (0.42) TLR7CNR1CNR2GAAHTT
SCHEMBL5259308 0.81 GAA (0.40) TLR7CNR1CNR2GAAHTT
SCHEMBL4139564 0.80 SMN1; SMN2 (0.40) TLR7GAAHTTLMNATP53

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
US-20130225555-A1 Imidazoquinolines with Immuno-Modulating Properties DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-08-29 — — US disclosed
US-8436178-B2 Imidazoquinolines with immuno-modulating properties ASTRAZENECA AB (SE) 2013-05-07 — — US disclosed
EP-2155743-B1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2012-08-29 — — EP disclosed
US-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2010-11-04 — — US disclosed
EP-2155743-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES AstraZeneca AB (SE) 2010-02-24 — — EP disclosed
WO-2008135791-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2008-11-13 — — 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-20100280001-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES IFNG, FCGRT, IFNAR1 TLR7 267/4885ALDH1A1 512/4885CNR1 117/4885
US-20130225555-A1 Imidazoquinolines with Immuno-Modulating Properties IFNG, FCGRT, IFNAR1 TLR7 267/4885ALDH1A1 512/4885CNR1 117/4885

“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.