SCHEMBL11967239

SCHEMBL11967239

CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccccc2C1)c1ccc(-c2nc(C)no2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 13/20 0.53
NPY2R P49146 1/20 0.33
KIFC1 Q9BW19 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL11976141 0.94 AHCY (0.53) AHCYNPY2RKIFC1LMNATSHR
SCHEMBL11973984 0.92 AHCY (0.46) AHCYNPY2RKIFC1
SCHEMBL11904348 0.92 AHCY (0.45) AHCYNPY2RKIFC1
SCHEMBL11976206 0.88 AHCY (0.54) AHCY
SCHEMBL15195860 0.88 AHCY (0.54) AHCY
SCHEMBL11974823 0.88 AHCY (0.53) AHCYKIFC1LMNATSHRMAPK1
SCHEMBL11974043 0.86 AHCY (0.45) AHCYNPY2RKIFC1
SCHEMBL11974098 0.85 AHCY (0.51) AHCY
SCHEMBL11976131 0.85 AHCY (0.44) AHCYNPY2RKIFC1
SCHEMBL11975046 0.85 AHCY (0.52) AHCY

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 3 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

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 4108/4885NPY2R 2353/4885KIFC1 1761/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885NPY2R 4843/4885KIFC1 4598/4885

“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.