SCHEMBL23328947

SCHEMBL23328947

CC(C)c1nc(CC(C)c2ccccn2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
TLR7 Q9NYK1 1/20 0.45
HRH1 P35367 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
KCNA5 P22460 5/20 0.35
KCNH2 Q12809 1/20 0.35
CXCR4 P61073 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KCNE1 P15382 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADORA2A P29274 2/20 0.33
NMT1 P30419 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
SCHEMBL20757741 0.84 SLC6A3 (0.45) SLC6A3TLR7TSHRALDH1A1HTT
SCHEMBL27436574 0.74 SLC6A3 (0.39) SLC6A3HRH1DRD2HTR2A
SCHEMBL22725661 0.74 TSHR (0.38) SLC6A3TLR7TSHRKCNA5KCNH2
SCHEMBL25003875 0.72 TSHR (0.41) SLC6A3HRH1HTR2ATSHRKCNA5
SCHEMBL10163704 0.72 SLC6A3 (0.46) SLC6A3TLR7HRH1DRD2HTR2A
Hydrochloric Acid SCHEMBL4850267 0.72 SLC6A3 (0.51) SLC6A3TLR7HRH1DRD2HTR2A
SCHEMBL20666526 0.71 ALDH1A1 (0.40) SLC6A3TSHRNPC1KCNA5KCNH2
SCHEMBL26278070 0.71 ESR1 (0.45) SLC6A3HRH1HTR2ATSHRNPC1
SCHEMBL24199566 0.70 TSHR (0.36) SLC6A3HRH1HTR2ATSHRKCNA5
SCHEMBL10249190 0.70 SLC6A3 (0.56) SLC6A3TLR7HRH1DRD2HTR2A

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-20210130359-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-05-06 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-20210130359-A1 SULFONYLUREAS AND SULFONYLTHIOUREAS AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 SLC6A3 1017/4885TLR7 1035/4885HRH1 1599/4885

“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.