SCHEMBL1027953

SCHEMBL1027953

CCN(CCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(C#N)c(F)cc1C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.35
NAMPT P43490 1/20 0.34
PARP1 P09874 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
SCHEMBL1025435 0.94 AHCY (0.33) AHCYNAMPT
SCHEMBL1197610 0.94 NAMPT (0.33) AHCYNAMPT
SCHEMBL1024209 0.87 AHCY (0.36) AHCYNAMPT
SCHEMBL1027854 0.87 AHCY (0.36) AHCYNAMPT
SCHEMBL1027839 0.87 AHCY (0.37) AHCYNAMPT
SCHEMBL1027486 0.84 AHCY (0.37) AHCYNAMPT
SCHEMBL1197317 0.83 AHCY (0.38) AHCYNAMPT
Hydrochloric Acid SCHEMBL1026604 0.83 AHCY (0.38) AHCY
SCHEMBL1027267 0.83 AHCY (0.32) AHCYNAMPT
SCHEMBL1197547 0.83 DPP8 (0.32) 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 4108/4885NAMPT 363/4885PARP1 4520/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NAMPT 134/4885PARP1 2820/4885

“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.