SCHEMBL1024460

SCHEMBL1024460

CCN(NC(=O)c1ccc(C)c(N(CC(=O)O)CC(=O)N(C)N2Cc3ccccc3C2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHCY P23526 12/20 0.38
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAMPT P43490 2/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL1026106 0.94 AHCY (0.38) AHCYHTTSMN1; SMN2NAMPTHTR2C
SCHEMBL1027230 0.91 AHCY (0.38) AHCYNAMPTHTR2CSLC6A4PRMT5
SCHEMBL1027462 0.85 ALDH1A1 (0.39) HTTSMN1; SMN2SUCNR1
SCHEMBL1026774 0.85 AHCY (0.39) AHCY
SCHEMBL1024888 0.85 AHCY (0.38) AHCYNAMPTHTR2CSLC6A4PRMT5
SCHEMBL1026543 0.80 AHCY (0.42) AHCYSMN1; SMN2
Hydrochloric Acid SCHEMBL1026614 0.80 AHCY (0.43) AHCYHTTSMN1; SMN2NAMPTOPRM1
Hydrochloric Acid SCHEMBL1026640 0.80 AHCY (0.42) AHCYHTTSMN1; SMN2NAMPTOPRM1
SCHEMBL1027743 0.79 NR1I3 (0.43) AHCYNAMPTSLC6A4PRMT5WDR77
SCHEMBL1024145 0.79 AHCY (0.40) AHCYSMN1; SMN2NAMPTPRMT5WDR77

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 4108/4885HTT 1284/4885SMN1; SMN2 345/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 AHCY 4/4885HTT 172/4885SMN1; SMN2 2462/4885

“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.