SCHEMBL1029548

SCHEMBL1029548

COc1ccc2c(c1)CN(N(C)C(=O)CN(CC(=O)O)c1cc(C#N)ccc1C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.37
NFE2L2 Q16236 4/20 0.37
AHCY P23526 3/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A9 P48067 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NAMPT P43490 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL1028562 0.88 AHCY (0.39) KEAP1NFE2L2AHCYDRD2DRD3
SCHEMBL1025454 0.87 PTGDR (0.37) KEAP1NFE2L2AHCYDRD2DRD3
SCHEMBL11975036 0.85 AHCY (0.44) AHCYDRD2DRD3MAPTNAMPT
Hydrochloric Acid SCHEMBL1027358 0.84 AHCY (0.45) AHCYDRD2DRD3MAPTNAMPT
SCHEMBL1025888 0.84 KEAP1 (0.37) KEAP1NFE2L2AHCYMAPTSLC6A9
SCHEMBL1028759 0.81 AHCY (0.47) AHCYDRD2DRD3MAPT
SCHEMBL1027043 0.80 AHCY (0.39) KEAP1NFE2L2AHCYDRD2DRD3
SCHEMBL1027304 0.79 LMNA (0.40) DRD3MAPTPOLBTSHR
SCHEMBL1027694 0.79 HCRTR1 (0.36) MAPTNAMPT
SCHEMBL1028149 0.78 AHCY (0.41) KEAP1NFE2L2AHCYDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 KEAP1 776/4885NFE2L2 1949/4885AHCY 4108/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KEAP1 754/4885NFE2L2 3760/4885AHCY 4/4885

“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.