SCHEMBL1028189

SCHEMBL1028189

CN(C(=O)CN(CC(=O)O)c1ccccc1Cl)N1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.46
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
UTS2R Q9UKP6 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NLRP3 Q96P20 1/20 0.35
AKR1B1 P15121 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SLC6A9 P48067 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1027427 0.91 AHCY (0.43) AHCYTDP1KDM4EHIF1AMEN1
SCHEMBL1028138 0.89 AHCY (0.51) AHCYSIGMAR1TAS1R3TAS1R1TAS1R2
SCHEMBL1027422 0.89 AHCY (0.54) AHCY
SCHEMBL1026661 0.86 AHCY (0.42) AHCYTDP1OPRM1KDM4EMEN1
SCHEMBL1029491 0.86 AHCY (0.43) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1030145 0.84 AHCY (0.41) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1025604 0.84 AHCY (0.42) AHCYOPRM1HIF1ASIGMAR1
SCHEMBL1027747 0.83 ALDH1A1 (0.41) AHCYTDP1KDM4EMEN1KMT2A
SCHEMBL1028549 0.83 MEN1 (0.44) AHCYOPRM1KDM4EMEN1KMT2A
SCHEMBL1026487 0.83 AHCY (0.53) AHCYTDP1MEN1KMT2A

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 4245/4885OPRM1 4572/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885TDP1 744/4885OPRM1 4488/4885

“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.