SCHEMBL11976239

SCHEMBL11976239

CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2cn(C)nc2cc1C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AHCY P23526 18/20 0.55
NOTUM Q6P988 2/20 0.34

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
SCHEMBL11974083 0.97 AHCY (0.55) AHCYNOTUM
SCHEMBL11975198 0.92 AHCY (0.47) AHCYNOTUM
SCHEMBL11973986 0.91 AHCY (0.54) AHCYNOTUM
SCHEMBL11975756 0.88 AHCY (0.47) AHCYNOTUM
SCHEMBL1026285 0.85 AHCY (0.40) AHCYNOTUM
SCHEMBL11973989 0.85 AHCY (0.51) AHCY
SCHEMBL11975731 0.85 AHCY (0.56) AHCYNOTUM
SCHEMBL11975738 0.83 AHCY (0.46) AHCYNOTUM
SCHEMBL11975206 0.83 AHCY (0.56) AHCYNOTUM
SCHEMBL13652568 0.83 AHCY (0.54) AHCY

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 4 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
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
WO-2009125853-A1 HOMOCYSTEINE SYNTHASE INHIBITOR 田辺三菱製薬株式会社 (JP) 2009-10-15 WO 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 4108/4885NOTUM 3617/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NOTUM 379/4885

“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.