SCHEMBL3879666

SCHEMBL3879666

Brc1ccc(-c2nc3c(s2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
KMT2A Q03164 4/20 0.37
APP P05067 1/20 0.34
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
OGA O60502 1/20 0.31
MAPK1 P28482 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
SCHEMBL3880644 0.87 NPC1 (0.50) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3880047 0.84 DPP4 (0.43) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3879047 0.84 HRH3 (0.36) RAB9ANPC1KMT2AAPP
SCHEMBL3880319 0.84 APP (0.39) RAB9ANPC1KMT2AAPPMEN1
SCHEMBL3881648 0.83 APP (0.42) RAB9ANPC1KMT2AAPPMEN1
SCHEMBL3879819 0.83 RAB9A (0.42) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3879972 0.82 RAB9A (0.39) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3880369 0.81 RAB9A (0.38) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3878282 0.81 CHRNB2 (0.34) RAB9ANPC1KMT2ADPP4DPP8
SCHEMBL3880574 0.81 NPC1 (0.33) RAB9ANPC1KMT2AMAPTALDH1A1

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 RAB9A 2125/4885NPC1 1741/4885KMT2A 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.