SCHEMBL729772

SCHEMBL729772

COc1ccc(C(C)(N)CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.51
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.44
LTA4H P09960 1/20 0.43
ESR2 Q92731 1/20 0.43
KIF11 P52732 4/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL20122628 0.83 AOC3 (0.47) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL731954 0.83 IDO1 (0.48) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL1506598 0.83 CA1 (0.50) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL7236788 0.80 ALDH1A1 (0.49) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL8891278 0.78 LMNA (0.56) TDP1MAPK1ALDH1A1LMNAALOX15
SCHEMBL7043985 0.78 CA1 (0.55) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL7837799 0.78 ESR1 (0.56) ALDH1A1LMNAHSD17B10ESR2MEN1
SCHEMBL3799108 0.78 CA1 (0.55) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL6865347 0.77 LMNA (0.49) AOC3TDP1MAPK1ALDH1A1LMNA
SCHEMBL5305755 0.76 LTA4H (0.52) AOC3TDP1ALDH1A1LTA4HKIF11

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2007770-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (2 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-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 AOC3 1620/4885TDP1 3617/4885MAPK1 1231/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 AOC3 2096/4885TDP1 3478/4885MAPK1 1129/4885

“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.