SCHEMBL544484

SCHEMBL544484

O=C1CNC(=S)N1c1ccc2nc(S)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.57
NPC1 O15118 9/20 0.57
MAPT P10636 5/20 0.57
PKM P14618 4/20 0.57
NPSR1 Q6W5P4 4/20 0.57
LMNA P02545 2/20 0.57
CCR6 P51684 2/20 0.57
TDP1 Q9NUW8 2/20 0.54
OPRK1 P41145 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
GAA P10253 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
THRB P10828 1/20 0.39
NFKB1 P19838 1/20 0.36
STAT1 P42224 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL3401925 0.73 RAB9A (0.41) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL3407739 0.73 GAA (0.40) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL3403943 0.71 KMT2A (0.41) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL3406748 0.69 GAA (0.44) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL14011314 0.69 KMT2A (0.48) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL1421489 0.66 GAA (0.64) RAB9ANPC1MAPTPKMNPSR1
SCHEMBL6032227 0.65 GAA (0.63) RAB9ANPC1MAPTNPSR1TDP1
SCHEMBL10347934 0.65 NPC1 (0.70) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL414418 0.64 LMNA (0.45) RAB9ANPC1MAPTNPSR1LMNA
SCHEMBL14160775 0.63 PIK3CA (0.50) RAB9ANPC1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-8110686-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110686-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
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-20110028514-A1 Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-02-03 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-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 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-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 RAB9A 1806/4885NPC1 1034/4885MAPT 2967/4885
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 RAB9A 2100/4885NPC1 833/4885MAPT 3030/4885

“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.