SCHEMBL6345643

SCHEMBL6345643

CC(C)(O)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 4/20 0.60
GAA P10253 2/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
SERPINE1 P05121 1/20 0.56
THRB P10828 1/20 0.55

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
SCHEMBL6350981 0.87 PDK1 (0.69) MAPTALDH1A1LMNA
SCHEMBL8569299 0.86 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31344385 0.86 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31000396 0.83 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11827090 0.83 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL5740163 0.82 TACR1 (0.59) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11571840 0.81 MAPT (0.86) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL27611956 0.81 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL12724369 0.81 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31384417 0.81 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2TP53

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 MAPT 4122/4885ALDH1A1 15/4885LMNA 1594/4885

“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.