SCHEMBL1025826

SCHEMBL1025826

Cc1cnc(-c2ccc(C)c(N(CC(=O)O)CC(=O)N(C)N3Cc4ccccc4C3)c2)o1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.38
P2RY12 Q9H244 1/20 0.32
NAMPT P43490 1/20 0.31
NPY2R P49146 1/20 0.30
SLC6A9 P48067 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL1024160 0.86 MAPK14 (0.40) AHCY
SCHEMBL11974046 0.85 AHCY (0.46) AHCYNAMPT
SCHEMBL1028347 0.84 NOTUM (0.43)
SCHEMBL1027792 0.84 AHCY (0.40) AHCYSLC6A9KDM4E
SCHEMBL1025169 0.84 NPY2R (0.37) AHCYNPY2R
SCHEMBL1029564 0.83 TDP1 (0.34) P2RY12KDM4E
SCHEMBL1025570 0.83 AHCY (0.38) AHCYSLC6A9
SCHEMBL1027761 0.82 AHCY (0.36) AHCYSLC6A9
SCHEMBL1028833 0.82 MKNK1 (0.38) AHCYNAMPT
SCHEMBL1024804 0.80 AHCY (0.38) AHCYSLC6A9

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 4108/4885P2RY12 1652/4885NAMPT 363/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885P2RY12 4645/4885NAMPT 134/4885

“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.