SCHEMBL3880644

SCHEMBL3880644

C1=CC(N2CCc3nc(-c4ccccc4)sc3CC2)=C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 1/20 0.49
MAOB P27338 2/20 0.36
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
GRM5 P41594 1/20 0.33
DRD3 P35462 1/20 0.32
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3879666 0.87 RAB9A (0.38) NPC1RAB9AKMT2ADPP4DPP8
SCHEMBL3879819 0.85 RAB9A (0.42) NPC1RAB9AKMT2ADPP4DPP8
SCHEMBL3879047 0.84 HRH3 (0.36) NPC1RAB9AKMT2AKDM4E
SCHEMBL3880319 0.84 APP (0.39) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3880047 0.84 DPP4 (0.43) NPC1RAB9AKMT2ADPP4DPP8
SCHEMBL3881648 0.83 APP (0.42) NPC1RAB9AKMT2APDCD1CD274
SCHEMBL3880574 0.83 NPC1 (0.33) NPC1RAB9AKMT2ADRD3KDM4E
SCHEMBL3880276 0.82 HRH3 (0.39) NPC1RAB9AKMT2AGRM5LMNA
SCHEMBL3879972 0.82 RAB9A (0.39) NPC1RAB9AKMT2ADPP4DPP8
SCHEMBL3880369 0.81 RAB9A (0.38) NPC1RAB9AKMT2ADPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP claimed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US claimed
EP-1858900-B1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2009-01-07 EP disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
EP-1858900-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-11-28 EP disclosed
WO-2006097691-A1 FUSED THIAZOLE DERIVATIVES HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-09-21 WO 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 NPC1 1741/4885RAB9A 2125/4885KMT2A 364/4885

“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.