SCHEMBL1028549

SCHEMBL1028549

CN(C(=O)CN(CC(=O)O)c1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NLRP3 Q96P20 1/20 0.44
AHCY P23526 4/20 0.41
KDM4E B2RXH2 1/20 0.39
NAMPT P43490 3/20 0.38
HSP90AA1 P07900 2/20 0.37
NOTUM Q6P988 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34

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
SCHEMBL1026073 0.89 AHCY (0.39) MEN1KMT2ANLRP3AHCYHSP90AA1
SCHEMBL1026938 0.88 AHCY (0.46) MEN1KMT2ANLRP3AHCYALDH1A1
SCHEMBL1026661 0.84 AHCY (0.42) MEN1KMT2ANLRP3AHCYKDM4E
SCHEMBL1024751 0.84 AHCY (0.38) MEN1KMT2ANLRP3AHCYKDM4E
SCHEMBL1028189 0.83 AHCY (0.46) MEN1KMT2ANLRP3AHCYKDM4E
SCHEMBL1030145 0.82 AHCY (0.41) MEN1KMT2ANLRP3AHCYKDM4E
SCHEMBL12720680 0.82 AHCY (0.49) MEN1KMT2ANLRP3AHCYNAMPT
SCHEMBL1027747 0.81 ALDH1A1 (0.41) MEN1KMT2AAHCYKDM4ERAB9A
SCHEMBL1025266 0.81 TAS1R3 (0.43) MEN1KMT2ANLRP3AHCYKDM4E
SCHEMBL11973976 0.81 AHCY (0.61) MEN1KMT2ANLRP3AHCYNAMPT

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 MEN1 2301/4885KMT2A 2852/4885NLRP3 3018/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MEN1 514/4885KMT2A 1006/4885NLRP3 2701/4885

“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.