SCHEMBL544909

SCHEMBL544909

CC(C)CNc1ccc2nc(S)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LDHA P00338 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 3/20 0.36
RAB9A P51151 5/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
THRB P10828 1/20 0.35
SCN4A P35499 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL27584164 0.87 RAB9A (0.36) MAPTCASP3SENP8SENP7SENP6
SCHEMBL2804015 0.83 RAB9A (0.41) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL2858603 0.81 RAB9A (0.40) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL2078737 0.80 LDHA (0.43) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL14160762 0.79 APP (0.36) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL27584198 0.78 SMN1; SMN2 (0.47) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL2859450 0.76 ABL1 (0.45) KDM4EAPPRAB9AGAASMN1; SMN2
SCHEMBL14160710 0.75 SMN1; SMN2 (0.38) MAPTLDHAKDM4EMEN1KMT2A
SCHEMBL2868935 0.75 PTPN1 (0.55) MAPTRAB9ANPC1
SCHEMBL14160763 0.74 RAB9A (0.35) MAPTLDHAKDM4EMEN1KMT2A

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 22 patents — showing the first 20. 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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP 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-7723366-B2 Azole compounds as malonyl-CoA decarboxylase inhibitors for treating metabolic diseases CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-25 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
EP-1379243-B1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-09-09 EP disclosed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US disclosed
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 US disclosed
EP-1379243-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-01-14 EP 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-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-2002066034-A1 METHODS FOR TREATING METABOLIC DISEASES USING MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 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 ESR1 3126/4885MAPT 2967/4885CASP3 2268/4885
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 ESR1 3912/4885MAPT 3030/4885CASP3 2475/4885
US-20040082564-A1 Methods for treating metabolic diseases using malonyl-coa decarboxylase inhibitors ME1, ME3, ME2 ESR1 4566/4885MAPT 2787/4885CASP3 1865/4885

“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.