SCHEMBL1025604

SCHEMBL1025604

CN(C(=O)CN(CC(=O)O)c1cc(C#N)ccc1Cl)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.42
HCRTR2 O43614 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
NAMPT P43490 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HIF1A Q16665 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 0.89 AHCY (0.39) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1028149 0.88 AHCY (0.41) AHCYKEAP1NFE2L2ALDH1A1DRD2
SCHEMBL1027836 0.88 AHCY (0.41) AHCYKEAP1NFE2L2ALDH1A1DRD2
SCHEMBL1025100 0.87 PTGDR2 (0.39) AHCYHCRTR2KEAP1NFE2L2DRD2
SCHEMBL1027043 0.87 AHCY (0.39) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1027422 0.86 AHCY (0.54) AHCYALDH1A1
SCHEMBL1028189 0.84 AHCY (0.46) AHCYOPRM1SIGMAR1HIF1A
SCHEMBL13652607 0.83 AHCY (0.51) AHCY
SCHEMBL1028138 0.80 AHCY (0.51) AHCYALDH1A1TMEM97SIGMAR1
SCHEMBL1029491 0.80 AHCY (0.43) AHCYKEAP1NFE2L2ALDH1A1

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 AHCY 4108/4885HCRTR2 2620/4885KEAP1 776/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HCRTR2 3478/4885KEAP1 754/4885

“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.