SCHEMBL1024741

SCHEMBL1024741

CCOC(=O)CN(CC(=O)N(C)N1Cc2ccc(F)cc2C1)c1cc2[nH]ncc2cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.34
ROCK2 O75116 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ROCK1 Q13464 1/20 0.34
FASN P49327 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
AHCY P23526 3/20 0.33
DHODH Q02127 1/20 0.32
GAA P10253 2/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
S1PR3 Q99500 1/20 0.31
CHRM5 P08912 1/20 0.31

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
SCHEMBL1026973 0.97 S1PR1 (0.35) S1PR1ROCK2MEN1KMT2AROCK1
SCHEMBL1073945 0.91 AHCY (0.39) S1PR1ROCK2MEN1KMT2AFASN
SCHEMBL1028229 0.88 AHCY (0.40) S1PR1ROCK2MEN1KMT2AFASN
SCHEMBL1024224 0.84 AHCY (0.33) MEN1KMT2ADPP8DPP9AHCY
SCHEMBL1028826 0.84 ROCK2 (0.35) S1PR1ROCK2MEN1KMT2AROCK1
SCHEMBL1026234 0.83 AHCY (0.33) MEN1KMT2ADPP8DPP9AHCY
SCHEMBL1028037 0.82 DPP8 (0.33) S1PR1DPP8DPP9AHCYGAA
SCHEMBL1027740 0.82 AHCY (0.33) MEN1KMT2ADPP8DPP9AHCY
SCHEMBL1027271 0.81 MAPK14 (0.35) DPP8DPP9AHCYNAMPT
SCHEMBL1027152 0.80 AHCY (0.33) MEN1KMT2ADPP8DPP9AHCY

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 S1PR1 229/4885ROCK2 771/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 S1PR1 1206/4885ROCK2 3062/4885MEN1 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.