SCHEMBL543721

SCHEMBL543721

CC(C)Nc1ccc(N)c(S)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.35
APP P05067 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
TGFBR1 P36897 1/20 0.32
AURKB Q96GD4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAP4K4 O95819 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL4636216 0.78 NCF1 (0.42)
SCHEMBL3224012 0.68 XIAP (0.54) APPHRH4TRPM8KCNH3ALDH1A1
SCHEMBL21323398 0.68 TDP1 (0.37) HCAR3APPTRPM8L3MBTL1KCNH3
SCHEMBL4637203 0.68 MAP4K4 (0.42) HCAR3AURKAAURKBMAP4K4MEN1
SCHEMBL12541310 0.68 TDP1 (0.44) HCAR3APPTRPM8L3MBTL1KCNH3
SCHEMBL10212545 0.67 HRH4 (0.55) HRH4
SCHEMBL15920651 0.66
SCHEMBL25150667 0.65 NOS3 (0.41) HCAR3TRPM8KCNH3MEN1ALDH1A1
SCHEMBL10212536 0.65 HCAR3 (0.38) HCAR3APPHRH4TRPM8AURKA
SCHEMBL544264 0.65 MAOB (0.39) HCAR3TRPM8PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110686-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20110028514-A1 Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-02-03 US disclosed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US disclosed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP disclosed
WO-2003090746-A1 1,3-THIAZOLES AS LXR MODULATORS IN THE TREATMENT OF CARDIOVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 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 (3 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-20110028514-A1 Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators ME3, ME1, MLYCD HCAR3 338/4885APP 3826/4885HRH4 2464/4885
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 HCAR3 563/4885APP 4070/4885HRH4 3073/4885
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HCAR3 30/4885APP 4263/4885HRH4 68/4885

“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.