SCHEMBL1028833

SCHEMBL1028833

Cc1ccc(-c2cccnc2)cc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 6/20 0.38
AHCY P23526 3/20 0.37
CTSA P10619 1/20 0.36
DYRK1A Q13627 1/20 0.35
NAMPT P43490 1/20 0.35
NOTUM Q6P988 1/20 0.35
ABL1 P00519 1/20 0.35
MAPT P10636 1/20 0.35
RIN1 Q13671 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL1025570 0.91 AHCY (0.38) AHCY
SCHEMBL1027792 0.86 AHCY (0.40) AHCY
SCHEMBL11974698 0.84 AHCY (0.45) CYP11B1CYP11B2AHCYDYRK1ANAMPT
SCHEMBL1026583 0.84 MKNK1 (0.51) MKNK1MKNK2CYP11B1CYP11B2CTSA
SCHEMBL1028403 0.84 AHCY (0.36) AHCYHDAC1HDAC2
SCHEMBL1025826 0.82 AHCY (0.38) AHCYNAMPT
SCHEMBL1027761 0.82 AHCY (0.36) AHCYCTSADYRK1A
SCHEMBL1028972 0.81 AHCY (0.36) AHCYDYRK1A
SCHEMBL1024160 0.81 MAPK14 (0.40) AHCYDYRK1A
SCHEMBL1026487 0.80 AHCY (0.53) AHCYMAPT

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 MKNK1 1149/4885MKNK2 1113/4885CYP11B1 1601/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MKNK1 1866/4885MKNK2 2261/4885CYP11B1 505/4885

“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.