SCHEMBL23916871

SCHEMBL23916871

CC(C)n1c(CNC(=O)C2CCCO2)nc2c(N)nc3cc(-c4cc[nH]n4)ccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.39
TLR8 Q9NR97 6/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
SLC22A1 O15245 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL23916804 0.98 TLR7 (0.39) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL23917096 0.94 KDM4E (0.39) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL23917076 0.88 TLR7 (0.40) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL23916790 0.85 TLR7 (0.40) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL23917058 0.81 TLR7 (0.39) TLR7TLR8KDM4EALDH1A1GAA
SCHEMBL29315205 0.79 KDM4E (0.40) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL23916913 0.78 TLR7 (0.36) TLR7TLR8NLRP3
SCHEMBL29314869 0.78 KDM4E (0.39) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL29315208 0.76 KDM4E (0.38) KDM4EALDH1A1GAAHSD17B10GLA
SCHEMBL29314714 0.76 DRD4 (0.39) TLR7TLR8KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 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-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TLR7 236/4885TLR8 210/4885KDM4E 3888/4885

“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.