SCHEMBL730584

SCHEMBL730584

COc1ccc(C(C)(CO)NC(=O)CCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HTT P42858 2/20 0.41
KIF11 P52732 1/20 0.40

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
SCHEMBL25330872 0.82 LMNA (0.39) ALDH1A1LMNAMAPK1RECQLMEN1
SCHEMBL12897088 0.72 CA1 (0.59) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL361630 0.71 GAA (0.39) ALDH1A1LMNAMAPK1RECQLMEN1
SCHEMBL1173215 0.71 GAA (0.39) ALDH1A1LMNAMAPK1RECQLMEN1
SCHEMBL1506598 0.69 CA1 (0.50) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL1289638 0.69 L3MBTL1 (0.69) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL6770004 0.69 LMNA (0.73) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL9053526 0.69 CYP1A2 (0.78) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL14830343 0.67 MIF (0.49) ALDH1A1LMNATDP1MAPTMEN1
SCHEMBL3845087 0.67 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ANPC1

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 ALDH1A1 350/4885LMNA 811/4885ALOX15 2419/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 ALDH1A1 515/4885LMNA 868/4885ALOX15 3065/4885

“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.