SCHEMBL3878403

SCHEMBL3878403

CCNC(=O)c1ccc(-c2nc3c(s2)CCN(C2=CC=C2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
IKBKB O14920 1/20 0.40
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.37
F10 P00742 1/20 0.37
HPGD P15428 1/20 0.37
ROCK2 O75116 3/20 0.37
GAA P10253 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC4 P56524 1/20 0.35
HSD11B1 P28845 1/20 0.35
PIK3CG P48736 1/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3879351 0.90 RAB9A (0.40) NPC1RAB9AIKBKBKMT2AF10
SCHEMBL3878837 0.85 KDM4E (0.46) NPC1RAB9AKMT2AF10GAA
SCHEMBL3879819 0.84 RAB9A (0.42) NPC1RAB9AKMT2AHPGDGAA
SCHEMBL3879972 0.83 RAB9A (0.39) NPC1RAB9AKMT2AF10HPGD
SCHEMBL3878825 0.81 NPC1 (0.41) NPC1RAB9AHPGDHDAC6HDAC4
SCHEMBL3878398 0.80 NPC1 (0.42) NPC1RAB9AIKBKBKMT2AHSP90AA1
SCHEMBL3880548 0.78 PIP5K1C (0.40) NPC1RAB9AF10GAADPP4
SCHEMBL3879666 0.77 RAB9A (0.38) NPC1RAB9AKMT2ADPP4DPP8
SCHEMBL3880644 0.77 NPC1 (0.50) NPC1RAB9AKMT2AHPGDGAA
SCHEMBL3880047 0.76 DPP4 (0.43) NPC1RAB9AKMT2AHSP90AA1GAA

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 4 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

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 2125/4885IKBKB 3427/4885

“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.