SCHEMBL6904531

SCHEMBL6904531

O=C(NC1CCc2ccccc2NC1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 18/20 0.71
▸ PYGM P11217 11/20 0.71
▸ SMYD3 Q9H7B4 2/20 0.59

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
SCHEMBL14193363 0.85 PYGL (0.64) PYGLPYGMSMYD3
SCHEMBL4801410 0.83 PYGL (1.00) PYGLPYGMSMYD3
SCHEMBL17149871 0.81 SMYD3 (0.67) PYGLPYGMSMYD3
SCHEMBL3603066 0.78 SMYD3 (0.69) PYGLPYGMSMYD3
SCHEMBL3609215 0.78 SMYD3 (0.69) PYGLPYGMSMYD3
SCHEMBL3603062 0.78 SMYD3 (0.69) PYGLPYGMSMYD3
SCHEMBL14193346 0.78 SMYD3 (0.57) PYGLPYGMSMYD3
SCHEMBL11888212 0.78 SMYD3 (0.79) PYGLPYGMSMYD3
SCHEMBL763943 0.77 SMYD3 (0.77) PYGLSMYD3
SCHEMBL4803861 0.76 PYGL (1.00) PYGLPYGM

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-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 — — 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-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 PYGL 1/4885PYGM 2/4885SMYD3 2280/4885

“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.

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