SCHEMBL1028282

SCHEMBL1028282

CCN(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc(C(N)=NO)ccc1C)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.31
NAMPT P43490 3/20 0.31
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL1026233 0.93 KDM5A (0.33) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL1027548 0.92 AHCY (0.35) AHCYNAMPT
SCHEMBL1028125 0.91 AHCY (0.33) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL1028148 0.87 AHCY (0.35) AHCYNAMPT
SCHEMBL1027267 0.85 AHCY (0.32) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL1027469 0.85 AHCY (0.37) AHCYNAMPT
SCHEMBL1027218 0.83 KCNH2 (0.34) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL1197851 0.83 AHCY (0.37) AHCYNAMPT
SCHEMBL1197610 0.82 NAMPT (0.33) AHCYNAMPTKCNH2TMEM97SIGMAR1
SCHEMBL1197547 0.81 DPP8 (0.32) AHCYNAMPTKCNH2TMEM97SIGMAR1

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 4108/4885NAMPT 363/4885KCNH2 3079/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NAMPT 134/4885KCNH2 3827/4885

“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.