SCHEMBL1027218

SCHEMBL1027218

Cc1ccc(C(N)=O)cc1N(CCN(C(=O)OC(C)(C)C)C(C)C)C(=O)CNCC(=O)N(C)N1Cc2ccc(F)cc2C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
NAMPT P43490 13/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
AHCY P23526 1/20 0.32
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 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
SCHEMBL1025815 0.94 KCNH2 (0.34) KCNH2TMEM97SIGMAR1NAMPTDPP8
SCHEMBL1024858 0.92 AHCY (0.36) NAMPTAHCY
SCHEMBL1026233 0.90 KDM5A (0.33) KCNH2TMEM97SIGMAR1NAMPTDPP8
SCHEMBL1025869 0.88 KCNH2 (0.34) KCNH2TMEM97SIGMAR1NAMPTDPP8
SCHEMBL1082094 0.85 AHCY (0.37) NAMPTAHCY
SCHEMBL1029885 0.84 NAMPT (0.36) NAMPTDPP8DPP9DPP4DPP7
SCHEMBL1028125 0.83 AHCY (0.33) KCNH2TMEM97SIGMAR1NAMPTDPP8
SCHEMBL1028282 0.83 AHCY (0.31) KCNH2TMEM97SIGMAR1NAMPTDPP8
SCHEMBL1026417 0.83 KCNH2 (0.32) KCNH2TMEM97SIGMAR1DPP8DPP9
SCHEMBL1027469 0.81 AHCY (0.37) NAMPTAHCY

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 4 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
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 KCNH2 3079/4885TMEM97 2107/4885SIGMAR1 3532/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 KCNH2 3827/4885TMEM97 4359/4885SIGMAR1 4091/4885

“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.