SCHEMBL5418878

SCHEMBL5418878

O=C(N[C@H](C(=O)O)C1CCCCC1)c1ccc(-c2ccc(F)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 14/20 0.45
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 1/20 0.38
ABCB1 P08183 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5195668 0.90 PYGL (0.46) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5195223 0.89 ABCB1 (0.47) PYGLKMT2AABCB1
SCHEMBL5197711 0.89 MEN1 (0.51) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5193891 0.88 PYGL (0.52) PYGLMEN1LMNAMAPTKMT2A
SCHEMBL5193186 0.86 PYGL (0.55) PYGLCYP2C9CNR1CNR2
SCHEMBL5193196 0.86 PYGL (0.55) PYGLCYP2C9CNR1CNR2
SCHEMBL5197590 0.86 PYGL (0.48) PYGLCYP2C9CNR1CNR2
SCHEMBL5197602 0.86 PYGL (0.48) PYGLCYP2C9CNR1CNR2
SCHEMBL5196793 0.85 PYGL (0.53) PYGLCYP2C9
SCHEMBL5196786 0.85 PYGL (0.53) PYGLCYP2C9

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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 PYGL 2/4885MEN1 4256/4885LMNA 444/4885

“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.