SCHEMBL1026661

SCHEMBL1026661

Cc1ccccc1N(CC(=O)O)CC(=O)N(C)N1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.42
TDP1 Q9NUW8 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TEAD1 P28347 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
OPRM1 P35372 3/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1024751 0.88 AHCY (0.38) AHCYKDM4EMEN1KMT2ANLRP3
SCHEMBL1028189 0.86 AHCY (0.46) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1023120 0.86 AHCY (0.41) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1026047 0.86 AHCY (0.51) AHCYTDP1ALDH1A1TP53
SCHEMBL1025998 0.86 AHCY (0.41) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1026487 0.86 AHCY (0.53) AHCYTDP1MEN1KMT2A
SCHEMBL1028031 0.86 AHCY (0.42) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1030145 0.85 AHCY (0.41) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1024145 0.85 AHCY (0.40) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1027427 0.85 AHCY (0.43) AHCYTDP1KDM4EMEN1KMT2A

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 AHCY 4108/4885TDP1 4245/4885TRPM8 1095/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885TDP1 744/4885TRPM8 3325/4885

“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.