SCHEMBL8065340

SCHEMBL8065340

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8055574 0.92 SMN1; SMN2 (0.48) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL8055630 0.87 SMN1; SMN2 (0.75) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL1115 0.85 SMN1; SMN2 (0.76) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL27540420 0.85 SMN1; SMN2 (0.58) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL13742739 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL7847021 0.80 SMN1; SMN2 (0.90) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL8065310 0.80 SMN1; SMN2 (0.64) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL6362154 0.79 SMN1; SMN2 (0.63) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL4705798 0.73 MEN1 (0.46) SMN1; SMN2MAPTPKMMEN1KMT2A
SCHEMBL1609142 0.73 MAPT (0.61) MAPTPKMMEN1KMT2AALDH1A1

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.