SCHEMBL6348671

SCHEMBL6348671

CC(C)(O)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.58
▸ KCNMA1 Q12791 3/20 0.55
▸ AR P10275 2/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55
▸ PKM P14618 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PGR P06401 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10712446 0.82 MAPT (0.64) APPKCNMA1TRPV1PKMMEN1
SCHEMBL550964 0.81 APP (0.55) APPKCNMA1TRPV1PKMMEN1
SCHEMBL31663746 0.81 APP (0.55) APPKCNMA1TRPV1PKMMEN1
SCHEMBL16235767 0.80 APP (0.69) APPKCNMA1TRPV1PKMMEN1
SCHEMBL16235764 0.80 APP (0.69) APPKCNMA1TRPV1PKMMEN1
SCHEMBL12035960 0.79 APP (0.60) APPKCNMA1TRPV1PKMMEN1
SCHEMBL7302107 0.79 NPC1 (0.69) APPKCNMA1MEN1KMT2AL3MBTL1
SCHEMBL4129918 0.78 L3MBTL1 (0.54) APPPKMMEN1KMT2AL3MBTL1
SCHEMBL13379289 0.78 APP (0.66) APPKCNMA1TRPV1PKMMEN1
SCHEMBL9652287 0.77 PKM (0.64) APPKCNMA1TRPV1PKMMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 — — CN disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 — — US disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 — — US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 — — US disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 — — CN disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 — — EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 — — WO 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB APP 2783/4885KCNMA1 1635/4885AR 1541/4885

“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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