SCHEMBL17480751

SCHEMBL17480751

[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.31

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
SCHEMBL15616809 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL15130583 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL13434053 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL16329221 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL14330842 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL13612332 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL16075605 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL13497925 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL13449873 1.00 MGMT (0.41) MGMTABCG2
SCHEMBL31395477 1.00 MGMT (0.41) MGMTABCG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-04-20 US disclosed
US-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES NOVARTIS AG (CH) 2016-02-04 US 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-20160030585-A1 NOVEL FATTY ACIDS AND THEIR USE IN CONJUGATION TO BIOMOLECULES FABP1, FABP2, FABP3 MGMT 3988/4885ABCG2 2120/4885
US-20170107248-A1 SITE SPECIFIC PROTEIN MODIFICATIONS PTMS, DNPEP, ANPEP MGMT 1625/4885ABCG2 3988/4885

“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.