SCHEMBL2078737

SCHEMBL2078737

CC(C)Nc1ccc2nc(S)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
APP P05067 3/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
SCN4A P35499 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
SNCA P37840 1/20 0.36
HTT P42858 3/20 0.36
GAA P10253 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
SCHEMBL27584198 0.85 SMN1; SMN2 (0.47) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL14557243 0.83 MAPT (0.47) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL1455389 0.81 KMT2A (0.48) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL544909 0.80 ESR1 (0.39) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL2340714 0.78 LDHA (0.71) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL1454367 0.78 APP (0.43) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL14432472 0.78 RAB9A (0.43) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL2804015 0.77 RAB9A (0.41) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL27584164 0.77 RAB9A (0.36) LDHAMAPTMEN1KMT2AKDM4E
SCHEMBL2858603 0.75 RAB9A (0.40) LDHAMAPTMEN1KMT2AKDM4E

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648564-B1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-10-17 EP claimed
US-8080665-B2 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-20 US disclosed
US-7897615-B2 e.g. 2-Cyano-3-hydroxy-N-isopropyl-N-(2-mercapto-benzothiazol-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide; cardiovascular disorders, antidiabetic, anticarcinogenic, antiischemic agent; obesity, metabolic disorders CHUGAI SCIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-7897615-B2 e.g. 2-Cyano-3-hydroxy-N-isopropyl-N-(2-mercapto-benzothiazol-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide; cardiovascular disorders, antidiabetic, anticarcinogenic, antiischemic agent; obesity, metabolic disorders CHUGAI SCIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-7786145-B2 Cyanoguanidine-based azole compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-31 US disclosed
EP-2208495-A1 Cyanoguanidine-based azole compounds useful as malonyl-CoA decarboxylase inhibitors Chugai Seiyaku Kabushiki Kaisha (JP) 2010-07-21 EP disclosed
US-20090124660-A1 Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
US-7449482-B2 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-11-11 US disclosed
EP-1658071-B1 CYANOGUANIDINE-BASED AZOLE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-09-10 EP disclosed
EP-1653957-B1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-07-09 EP disclosed
EP-1658071-A2 CYANOGUANIDINE-BASED AZOLE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-24 EP disclosed
EP-1653957-A1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-05-10 EP disclosed
EP-1648564-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-26 EP disclosed
WO-2005037258-A2 CYANOGUANIDINE-BASED AZOLE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-28 WO disclosed
US-20050032824-A1 Cyanoguanidine-based azole compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 US disclosed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
WO-2005011693-A1 PIPERIDINE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed
US-20050032828-A1 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 US disclosed
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 US 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 (4 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-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, MCCC2 LDHA 632/4885MAPT 2998/4885MEN1 1792/4885
US-20050032828-A1 Piperidine compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, PC LDHA 822/4885MAPT 2589/4885MEN1 3120/4885
US-20090124660-A1 Piperidine Compounds Useful as Malonyl-CoA Decarboxylase Inhibitors ACACA, ACACB, PC LDHA 822/4885MAPT 2589/4885MEN1 3120/4885
US-20050032824-A1 Cyanoguanidine-based azole compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, MLYCD, ACACB LDHA 961/4885MAPT 3547/4885MEN1 1109/4885

“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.