SCHEMBL544322

SCHEMBL544322

CC(S)C(C)N(C(=O)Oc1ccc(Cl)cc1)c1ccc2ncsc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDE10A Q9Y233 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
DRD2 P14416 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX3 P56373 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL2855118 0.88 NPC1 (0.41) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL3433640 0.82 MEN1 (0.37) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2863749 0.77 NPC1 (0.40) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2869557 0.76 GFER (0.40) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2866012 0.76 PDE10A (0.39) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2855234 0.75 MEN1 (0.44) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2862836 0.75 ALDH1A1 (0.40) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2859516 0.74 PDE10A (0.37) NPC1RAB9AMEN1KMT2APDE10A
SCHEMBL2855117 0.73 CA2 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2863729 0.72 NTRK1 (0.38) NPC1RAB9AMEN1KMT2APDE10A

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 8 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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP 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-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 (2 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 NPC1 1034/4885RAB9A 1806/4885MEN1 672/4885
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 NPC1 833/4885RAB9A 2100/4885MEN1 669/4885

“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.