SCHEMBL3028387

SCHEMBL3028387

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 9/20 0.58
HSD17B10 Q99714 6/20 0.58
HPGD P15428 5/20 0.58
CYP2C9 P11712 4/20 0.58
MAPT P10636 4/20 0.58
TSHR P16473 4/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C19 P33261 3/20 0.58
KMT2A Q03164 3/20 0.58
HIF1A Q16665 3/20 0.58
ABCB11 O95342 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 2/20 0.58
TP53 P04637 2/20 0.58
CYP2D6 P10635 2/20 0.58
NFKB1 P19838 2/20 0.58
THPO P40225 2/20 0.58

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
SCHEMBL29676455 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL28438034 0.95 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL28735880 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL3016247 0.86 MAPK1 (0.70) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL28443306 0.85 CYP2C9 (0.53) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL8268872 0.84 CYP2C9 (0.60) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL28939503 0.84 MAPK1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL7382246 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL7382420 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD
SCHEMBL7376961 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ARCHER PHARMACEUTICALS, INC. 2006-08-24 US 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 ALDH1A1 3749/4885SMN1; SMN2 1572/4885KDM4E 4629/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885SMN1; SMN2 2187/4885KDM4E 4759/4885

“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.