SCHEMBL30262248

SCHEMBL30262248

Cc1ccc(C)c(CNCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NQO2 P16083 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
BRD4 O60885 1/20 0.41
TP53 P04637 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5015072 0.87 NPC1 (0.54) NPC1RAB9AALDH1A1NQO2LMNA
SCHEMBL4707006 0.85 CHRM2 (0.49) NPC1RAB9APDCD1CD274ALDH1A1
SCHEMBL22800993 0.83 NPC1 (0.58) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL12330710 0.82 TDP1 (0.48) ALDH1A1NQO2CCNCCDK8BRD4
SCHEMBL22452384 0.82 PDCD1 (0.43) PDCD1CD274NQO2MALT1GAA
SCHEMBL4709745 0.82 PDCD1 (0.52) NPC1RAB9APDCD1CD274CCNC
SCHEMBL8203893 0.81 NPC1 (0.44) NPC1RAB9AALDH1A1NQO2LMNA
SCHEMBL22452352 0.80 POLB (0.53) PDCD1CD274ALDH1A1NQO2MALT1
SCHEMBL22604937 0.80 CD274 (0.53) PDCD1CD274NQO2HTTMALT1
SCHEMBL15171404 0.77 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2L3MBTL1

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-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents SOUTHERN RESEARCH INSTITUTE (US) 2023-02-14 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-11578073-B2 Xanthine analogs as potent anti-West Nile viral agents XDH, PNP, MAVS NPC1 347/4885RAB9A 3122/4885PDCD1 2186/4885

“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.