SCHEMBL4264346

SCHEMBL4264346

CCN(N)C(=N)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 18/20 0.42
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ST14 Q9Y5Y6 2/20 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
SCHEMBL4264352 1.00 SMYD3 (0.42) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL4269773 0.80 ADH1B (0.44) SMYD3
SCHEMBL4264362 0.79 SMYD3 (0.37) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL13932390 0.79 SMYD3 (0.37) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL4264356 0.79 SMYD3 (0.37) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL13932401 0.78 SMYD3 (0.32) SMYD3
SCHEMBL13932403 0.74 SMYD3 (0.33) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL3955457 0.72 ALDH1A1 (0.33)
SCHEMBL20714983 0.70 SMYD3 (0.41) SMYD3F2PRSS1PRSS2PRSS3
SCHEMBL2953649 0.69

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-7485632-B2 Cephalosporins NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2009-02-03 US disclosed
EP-1529050-B1 CEPHALOSPORINS SANDOZ AG (CH) 2006-05-24 EP disclosed
US-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas NABRIVA THERAPEUTICS AG (AT) 2005-10-20 US disclosed
EP-1529050-A1 CEPHALOSPORINS Sandoz AG (CH) 2005-05-11 EP disclosed
WO-2004007505-A1 CEPHALOSPORINS SANDOZ AG (CH) 2004-01-22 WO 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 (1 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-20050234233-A1 e.g. 3-{(E)[[1-trans-(4-Amino-cyclohexylamino)-iminomethyl]-methylhydrazono]methyl}-7- {[(5-amino-1,2,4-thiadiazol-3-yl)-(Z)-(fluoromethoxyimino)-acetyl]amino}-3-cephem-4-carboxylic acid; microbiocide; Escherichia, Enterobacter, Enterococcus, Klebsiella, Streptococcus, Staphylococcus and Pseudomonas CD14, GNE, ECH1 SMYD3 531/4885F2 818/4885PRSS1 1917/4885

“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.