SCHEMBL1028031

SCHEMBL1028031

CN(C(=O)CN(CC(=O)O)c1ccccc1Cc1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.42
PTPN1 P18031 2/20 0.38
HSP90AA1 P07900 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SLC6A9 P48067 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NAMPT P43490 1/20 0.35
LTA4H P09960 1/20 0.35
POLB P06746 1/20 0.35
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY2R P49146 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL1026661 0.86 AHCY (0.42) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL11955930 0.86 AHCY (0.59) AHCYNAMPTMEN1KMT2A
SCHEMBL1028189 0.82 AHCY (0.46) AHCYSLC6A9TDP1KDM4EMEN1
SCHEMBL11955929 0.82 AHCY (0.61) AHCYPOLBMEN1KMT2A
SCHEMBL1030145 0.81 AHCY (0.41) AHCYSLC6A9TDP1POLBKDM4E
SCHEMBL1027747 0.81 ALDH1A1 (0.41) AHCYSLC6A9TDP1KDM4EMEN1
SCHEMBL1028549 0.80 MEN1 (0.44) AHCYHSP90AA1NAMPTPOLBKDM4E
SCHEMBL11903790 0.80 AHCY (0.51) AHCY
SCHEMBL1024641 0.80 TDP1 (0.51) PTPN1SLC6A9TDP1LTA4HNPY2R
SCHEMBL1024751 0.79 AHCY (0.38) AHCYNAMPTKDM4EMEN1KMT2A

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 4108/4885PTPN1 2776/4885HSP90AA1 196/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885PTPN1 3251/4885HSP90AA1 2832/4885

“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.