SCHEMBL3030632

SCHEMBL3030632

COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
HPGD P15428 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 9/20 0.58
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPK1 P28482 2/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
MET P08581 1/20 0.53
RPS6KA3 P51812 1/20 0.53
RECQL P46063 2/20 0.53
POLB P06746 1/20 0.52
MPO P05164 1/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL13236491 0.92 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7817100 0.87 GAA (0.65) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL10896995 0.82 KDM4E (0.68) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3038408 0.80 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7817348 0.80 MET (0.59) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL11118868 0.80 KDM4E (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7814815 0.80 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3023520 0.78 ALDH1A1 (0.64) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8224389 0.78 NR3C1 (0.53) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL3324728 0.76 MEN1 (0.57) ALDH1A1HPGDMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3749/4885HPGD 1688/4885MEN1 3907/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HPGD 2424/4885MEN1 2917/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HPGD 2424/4885MEN1 2917/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HPGD 2424/4885MEN1 2917/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HPGD 2424/4885MEN1 2917/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885HPGD 2424/4885MEN1 2917/4885

“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.