SCHEMBL4254839

SCHEMBL4254839

O=C(O)CN1C(=O)C(NC(=O)c2cc3cc(Cl)ncc3[nH]2)Cc2ccc(Cl)cc21

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 19/20 0.70
▸ ABCB11 O95342 1/20 0.53
▸ PYGM P11217 4/20 0.53

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
SCHEMBL13878961 1.00 PYGL (0.70) PYGLABCB11PYGM
SCHEMBL4069725 0.92 PYGL (0.62) PYGLABCB11PYGM
SCHEMBL4067392 0.91 PYGL (0.58) PYGLABCB11PYGM
SCHEMBL13878957 0.91 PYGL (0.58) PYGLABCB11PYGM
SCHEMBL4070841 0.91 PYGL (0.77) PYGLABCB11PYGM
SCHEMBL4069178 0.91 PYGL (0.77) PYGLABCB11PYGM
SCHEMBL4074187 0.91 PYGL (0.77) PYGLABCB11PYGM
SCHEMBL13878960 0.90 PYGL (0.70) PYGLABCB11PYGM
SCHEMBL4075242 0.84 PYGL (0.56) PYGLABCB11PYGM
SCHEMBL13878908 0.83 PYGL (0.53) PYGLABCB11PYGM

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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LIMITED (GB) 2009-04-16 — — 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-20090099176-A1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PC, GOT2, PDK1 PYGL 104/4885ABCB11 1542/4885PYGM 229/4885

“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.

Send feedback