SCHEMBL6348399

SCHEMBL6348399

CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.60
▸ PAX8 Q06710 1/20 0.53
▸ MAPT P10636 7/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HTT P42858 3/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GAA P10253 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH3A1 P30838 1/20 0.45

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
SCHEMBL31171019 0.84 HTT (0.61) MAPTKMT2ANPC1RAB9AHTT
SCHEMBL358946 0.84 HTT (0.61) MAPTKMT2ANPC1RAB9AHTT
SCHEMBL6349992 0.84 PAX8 (0.53) PDE7APAX8MAPTKMT2AHTT
SCHEMBL2962041 0.82 PDE7A (0.65) PDE7APAX8MAPTKMT2AHTT
SCHEMBL6349009 0.79 KMT2A (0.64) MAPTKMT2ANPC1RAB9AHTT
SCHEMBL5857091 0.79 KMT2A (0.63) MAPTKMT2ANPC1RAB9AHTT
SCHEMBL3902453 0.79 KMT2A (0.73) PAX8MAPTKMT2ANPC1HTT
SCHEMBL5857928 0.79 PDE7A (0.72) PDE7AMAPTRAB9AHTTMAPK1
SCHEMBL28775114 0.77 SMN1; SMN2 (0.65) PAX8MAPTKMT2AHTTMEN1
SCHEMBL10786431 0.77 PDE7A (0.74) PDE7AMAPTKMT2AHTTMEN1

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
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 — — US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 — — EP 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 PDE7A 359/4885PAX8 3211/4885MAPT 4122/4885

“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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