SCHEMBL1027043

SCHEMBL1027043

Cc1cc(C#N)ccc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.39
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 2/20 0.38
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
NAMPT P43490 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAOB P27338 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRK1 P41145 1/20 0.32
CCR5 P51681 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 0.92 AHCY (0.39) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1028149 0.87 AHCY (0.41) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1025604 0.87 AHCY (0.42) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1027836 0.87 AHCY (0.41) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL1025100 0.86 PTGDR2 (0.39) AHCYKEAP1NFE2L2DRD2DRD4
SCHEMBL11973962 0.84 AHCY (0.58) AHCYNAMPT
SCHEMBL1023120 0.84 AHCY (0.41) AHCYKEAP1NFE2L2TDP1CYP2D6
SCHEMBL1026047 0.84 AHCY (0.51) AHCYKEAP1NFE2L2TDP1
SCHEMBL1026661 0.84 AHCY (0.42) AHCYOPRM1TDP1
SCHEMBL11976097 0.83 AHCY (0.48) AHCYNAMPT

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 4108/4885KEAP1 776/4885NFE2L2 1949/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885KEAP1 754/4885NFE2L2 3760/4885

“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.