SCHEMBL3033766

SCHEMBL3033766

CC1=C(C#N)C(c2ccc(O)cc2Cl)C(C#N)=C(C)N1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
NR3C2 P08235 1/20 0.52
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
MET P08581 3/20 0.45
RPS6KA3 P51812 1/20 0.43
ESR1 P03372 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
AR P10275 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
DRD5 P21918 1/20 0.37
HTR2C P28335 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL13236489 0.92 KDM4E (0.51) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL8259771 0.82 NR3C2 (0.67) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3034265 0.81 KDM4E (0.39) KDM4ENR3C2ALDH1A1ESR1KMT2A
SCHEMBL14273571 0.76 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2MAPTMET
SCHEMBL7814851 0.74 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2MAPTMET
SCHEMBL30162537 0.74 KDM4E (0.50) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL20954628 0.74 KDM4E (0.50) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL13685506 0.73 KDM4E (0.52) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL8260704 0.72 NR3C2 (0.79) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3027142 0.71 MET (0.56) KDM4ENR3C2ALDH1A1SMN1; SMN2MAPT

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 19 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-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-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
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
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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 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 KDM4E 4629/4885NR3C2 2619/4885ALDH1A1 3749/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885
US-20060188938-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 KDM4E 4759/4885NR3C2 3147/4885ALDH1A1 3939/4885

“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.