SCHEMBL4883447

SCHEMBL4883447

CN1CCN(c2ccc(-c3nc4c(s3)CCCNC4)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
TLR9 Q9NR96 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
PARP1 P09874 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
KMT2A Q03164 2/20 0.32
MCHR1 Q99705 2/20 0.32
CCNA2 P20248 3/20 0.31
CDK2 P24941 3/20 0.31
CCNA1 P78396 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3878538 0.86 NPC1 (0.37) PDCD1CD274TLR9TLR7PARP1
SCHEMBL3880566 0.77 NPC1 (0.38) TLR9TLR7NPC1RAB9AKMT2A
SCHEMBL3878526 0.77 NPC1 (0.42) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3881426 0.77 HRH3 (0.44) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3882290 0.77 HRH3 (0.46) PDCD1CD274TLR9TLR7NPC1
SCHEMBL3878449 0.77 NPC1 (0.44) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3878444 0.76 HRH3 (0.43) PDCD1CD274NPC1RAB9AKMT2A
SCHEMBL3882292 0.75 NPC1 (0.36) NPC1RAB9AKMT2ASMN1; SMN2NPSR1
SCHEMBL3883406 0.75 NPC1 (0.40) NPC1RAB9AKMT2AHRH3KDM4E
SCHEMBL3880778 0.75 GRM5 (0.38) TLR9TLR7NPC1RAB9AKMT2A

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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 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-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor HRH3, HRH4, HRH2 PDCD1 1718/4885CD274 1101/4885TLR9 911/4885

“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.