SCHEMBL3885983

SCHEMBL3885983

O=S1(=O)CCCN1c1ccc(-c2nc3c(s2)CCN(C2CCC2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
AKR1C3 P42330 1/20 0.35
UTRN P46939 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA6 P23280 1/20 0.34
OPRK1 P41145 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
GRM5 P41594 2/20 0.34
KMT2A Q03164 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ENPP2 Q13822 1/20 0.32
PDE4A P27815 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
CCNA2 P20248 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
SCHEMBL3886000 0.88 NPC1 (0.34) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3879280 0.79 HRH3 (0.44) NPC1RAB9AAKR1C3HRH3
SCHEMBL3879662 0.79 NPC1 (0.40) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3881643 0.78 PDCD1 (0.45) NPC1RAB9APDCD1CD274OPRK1
SCHEMBL3880638 0.78 NPC1 (0.53) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3882029 0.77 NPC1 (0.36) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3879438 0.77 RAB9A (0.42) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3878427 0.76 HRH3 (0.46) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3882290 0.76 HRH3 (0.46) NPC1RAB9APDCD1CD274GRM5
SCHEMBL3879967 0.76 HRH3 (0.42) NPC1RAB9APDCD1CD274GRM5

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 9 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-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 EP disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
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
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
US-20080161289-A1 Fused Thiazole Derivatives Having Affinity for the Histamine H3 Receptor GLAXO GROUP LIMITED 2008-07-03 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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 2125/4885AKR1C3 3223/4885

“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.