SCHEMBL8065310

SCHEMBL8065310

[2H]C([2H])(CC)c1nn(C([2H])([2H])[2H])c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8055630 0.92 SMN1; SMN2 (0.75) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL8055574 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL6365491 0.88 SMN1; SMN2 (0.82) SMN1; SMN2MAPTPKMKDM4EMEN1
SCHEMBL8065340 0.80 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL8056219 0.79 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL1452 0.78 SMN1; SMN2 (1.00) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL6442004 0.77 SMN1; SMN2 (0.78) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL13743000 0.77 SMN1; SMN2 (0.73) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL6362154 0.76 SMN1; SMN2 (0.63) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL7847021 0.74 SMN1; SMN2 (0.90) SMN1; SMN2MAPTPKMMEN1KMT2A

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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-08-14 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-20080194529-A1 HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS PDE5A, PDE7A, PDE3A SMN1; SMN2 1886/4885MAPT 4520/4885PKM 701/4885

“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.