SCHEMBL6738692

SCHEMBL6738692

CCCCCc1nc2c(N)nc3c(c2n1CCCCNC(=O)N1CCOCC1)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 2/20 0.39
TLR7 Q9NYK1 13/20 0.39
USP2 O75604 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
TLR8 Q9NR97 2/20 0.37

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
Hydrochloric Acid SCHEMBL5351391 0.99 HTT (0.43) HTTKDM4EALDH1A1GAAHPGD
SCHEMBL5774055 0.89 TLR7 (0.44) HTTTLR7
SCHEMBL1538290 0.87 HTT (0.40) HTTALDH1A1HSD17B10L3MBTL1TSHR
SCHEMBL5352329 0.87 TLR7 (0.45) HTTTLR7
SCHEMBL5616984 0.83 TLR7 (0.36) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL18610565 0.82 TLR7 (0.39) TLR7TLR8
SCHEMBL5617021 0.82 HPGD (0.37) HTTKDM4EALDH1A1HPGDMAPT
SCHEMBL5616991 0.82 TLR7 (0.36) HTTKDM4EHPGDMAPTL3MBTL1
Hydrochloric Acid SCHEMBL18587568 0.82 TLR7 (0.39) TLR7TLR8
SCHEMBL3976624 0.80 TLR7 (0.50) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US claimed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US claimed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 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 (1 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-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 HTT 2375/4885KDM4E 843/4885ALDH1A1 1336/4885

“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.