SCHEMBL13657692

SCHEMBL13657692

[2H]C([2H])([2H])Oc1ccc(N)c(N)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 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
SCHEMBL29424844 0.85 NNMT (0.41) NNMTSIRT2SIRT1
SCHEMBL126903 0.85 NNMT (0.41) NNMTSIRT2SIRT1
Hydrochloric Acid SCHEMBL3736737 0.83 NNMT (0.40) NNMTSIRT2SIRT1
Hydrochloric Acid SCHEMBL30078498 0.83 NNMT (0.40) NNMTSIRT2SIRT1
Hydrochloric Acid SCHEMBL3338097 0.83 NNMT (0.40) NNMTSIRT2SIRT1
SCHEMBL13657691 0.73 TXNRD1 (0.46)
SCHEMBL30271349 0.73 NNMT (0.33) NNMT
SCHEMBL2955940 0.71 ALDH1A1 (0.42)
SCHEMBL31418720 0.71
SCHEMBL23414839 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258897-A1 Substituted benzimidazoles AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-15 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 (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-20090258897-A1 Substituted benzimidazoles ABCB11, CYP2C19, HRH2 NNMT 2579/4885SIRT2 1564/4885SIRT1 1445/4885

“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.