SCHEMBL1028229

SCHEMBL1028229

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1cc2cn[nH]c2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.40
S1PR1 P21453 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FASN P49327 1/20 0.34
ROCK2 O75116 1/20 0.34
NPC1 O15118 1/20 0.34
CHRM5 P08912 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL1073945 0.97 AHCY (0.39) AHCYS1PR1MEN1KMT2ADHODH
SCHEMBL1026973 0.91 S1PR1 (0.35) AHCYS1PR1MEN1KMT2ADHODH
SCHEMBL1028826 0.90 ROCK2 (0.35) AHCYS1PR1MEN1KMT2ADHODH
SCHEMBL1024741 0.88 S1PR1 (0.34) AHCYS1PR1MEN1KMT2ADHODH
SCHEMBL1027033 0.85 AHCY (0.40) AHCYMEN1KMT2AFASN
SCHEMBL1026773 0.84 AHCY (0.40) AHCYNAMPT
SCHEMBL1027301 0.83 AHCY (0.39) AHCYMEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL1026358 0.82 AHCY (0.40) AHCYNAMPT
SCHEMBL1026285 0.81 AHCY (0.40) AHCYS1PR1MEN1KMT2AALDH1A1
SCHEMBL1024763 0.80 AHCY (0.39) AHCYS1PR1NAMPT

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 4108/4885S1PR1 229/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885S1PR1 1206/4885MEN1 514/4885

“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.