SCHEMBL1026147

SCHEMBL1026147

CCN(C(=O)CN(CC(=O)O)c1cc(C#N)ccc1C)N1Cc2ccccc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.35
NFE2L2 Q16236 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
NAMPT P43490 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
MAPK14 Q16539 1/20 0.32
AHCY P23526 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
GFER P55789 1/20 0.32

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) KEAP1NFE2L2NAMPTFFAR4FFAR1
SCHEMBL11974020 0.86 AHCY (0.48) NAMPTAHCYGFER
SCHEMBL1027043 0.80 AHCY (0.39) KEAP1NFE2L2NAMPTFFAR4DRD2
SCHEMBL1027836 0.79 AHCY (0.41) KEAP1NFE2L2NAMPTDRD2DRD3
SCHEMBL1026193 0.79 FFAR1 (0.46) KEAP1NFE2L2FFAR4FFAR1
SCHEMBL1025454 0.78 PTGDR (0.37) KEAP1NFE2L2NAMPTFFAR4FFAR1
SCHEMBL1029674 0.78 AHCY (0.40) FFAR4AHCY
SCHEMBL1025604 0.77 AHCY (0.42) KEAP1NFE2L2NAMPTDRD2DRD3
SCHEMBL1028149 0.77 AHCY (0.41) KEAP1NFE2L2NAMPTDRD2DRD3
SCHEMBL1029548 0.77 KEAP1 (0.37) KEAP1NFE2L2NAMPTFFAR4DRD2

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 1949/4885GABRA1 1010/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KEAP1 754/4885NFE2L2 3760/4885GABRA1 3479/4885

“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.