SCHEMBL18548747

SCHEMBL18548747

CCCCSc1cccc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGS2 P35354 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
PDE5A O76074 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL20571789 0.83 KDM4E (0.47) MAPTKDM4ENPC1ALDH1A1MEN1
SCHEMBL348041 0.81 PTGS2 (0.50) TLR8MAPTPTGS2NPC1RAB9A
SCHEMBL20571944 0.80 ALDH1A1 (0.44) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL16519472 0.78 PTGS2 (0.51) TLR8MAPTPTGS2NPC1RAB9A
SCHEMBL2333890 0.77 HTR1A (0.47) MAPTKDM4E
SCHEMBL27540870 0.77 PTGS2 (0.44) TLR8MAPTKDM4EPTGS2NPC1
SCHEMBL8908139 0.77 HTR1A (0.47) MAPTKDM4E
SCHEMBL18541888 0.76 ALDH1A1 (0.55) TLR8MAPTKDM4EALDH1A1NPSR1
SCHEMBL2607673 0.75 TLR8 (0.50) TLR8MAPTPTGS2NPC1RAB9A
SCHEMBL6461783 0.75 PTGS2 (0.39) TLR8MAPTPTGS2NPC1RAB9A

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-20170050931-A1 INHIBITORS OF RPN11 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-23 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-20170050931-A1 INHIBITORS OF RPN11 POLR2A, RPP30, RPIA TLR8 4707/4885MAPT 1647/4885KDM4E 3279/4885

“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.