SCHEMBL1139935

SCHEMBL1139935

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
POLB P06746 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK11 Q15759 4/20 0.50
MAPK14 Q16539 4/20 0.50
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIRT6 Q8N6T7 1/20 0.47
RIPK2 O43353 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1140179 0.91 POLB (0.57) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL1140167 0.90 MEN1 (0.52) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL1140045 0.90 MAPK11 (0.48) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL1139653 0.90 MAPK11 (0.47) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL5789210 0.88 MAPK11 (0.49) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL5785750 0.88 SIRT6 (0.47) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL1140681 0.88 MAPK11 (0.49) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL1140051 0.87 MAPK11 (0.54) MAPTALDH1A1MAPK11MAPK14MAPK13
SCHEMBL5785922 0.87 MAPT (0.48) MAPTPOLBALDH1A1MAPK11MAPK14
SCHEMBL5788418 0.87 SIRT6 (0.55) MAPTPOLBALDH1A1MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682520-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-23 EP disclosed
US-7750154-B2 Amide derivatives ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20070043065-A1 Amide derivatives ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 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-20070043065-A1 Amide derivatives IL6, IL2, IL1B MAPT 3467/4885POLB 3208/4885ALDH1A1 264/4885

“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.