SCHEMBL3593570

SCHEMBL3593570

CCOC(=O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
HSP90AA1 P07900 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
IDO1 P14902 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 4/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
MPI P34949 1/20 0.53
EP300 Q09472 1/20 0.53
PHOSPHO1 Q8TCT1 1/20 0.53
KAT2A Q92830 1/20 0.53
KAT2B Q92831 1/20 0.53

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
SCHEMBL6377479 0.83 FGFR1 (0.55) HTTALDH1A1HPGDNPSR1TDP1
SCHEMBL4049273 0.81 HTT (0.63) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL11308735 0.81 ALDH1A1 (0.54) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL16891435 0.80 CYP2C9 (0.45) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL9042612 0.79 HPGD (0.54) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL205374 0.78 HTT (0.54) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL6075112 0.78 HPGD (0.52) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL9042897 0.78 ALDH1A1 (0.62) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL4252666 0.78 LMNA (0.53) HTTALDH1A1HPGDHSP90AA1CACNA1B
SCHEMBL9041759 0.77 HTT (0.55) HTTALDH1A1HPGDHSP90AA1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
US-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2010-06-17 US disclosed
EP-2029138-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2009-03-04 EP disclosed
WO-2007130075-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2007-11-15 WO disclosed
WO-2006036949-A2 PREPARATION OF N-ARYL PYRIDONES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-06 WO disclosed
US-20060069260-A1 Preparation of N-aryl pyridones BRISTOL-MYERS SQUIBB COMPANY 2006-03-30 US disclosed
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
CN-1168667-A Pyridopyrimidones, quinolines and fused N-heretocycles as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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-20100152187-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 HTT 1544/4885ALDH1A1 927/4885HPGD 593/4885
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 HTT 1527/4885ALDH1A1 910/4885HPGD 588/4885
US-20060069260-A1 Preparation of N-aryl pyridones PNPO, PDXK, PLPBP HTT 2513/4885ALDH1A1 1583/4885HPGD 295/4885

“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.