SCHEMBL14860436

SCHEMBL14860436

CC(C)c1ccc(CN2CCN(CC(=O)NN)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FAAH O00519 1/20 0.55
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GPR183 P32249 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
ATM Q13315 2/20 0.47
AOC3 Q16853 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL12222589 0.85 ALDH1A1 (0.56) ALDH1A1HTTSMN1; SMN2FAAHKMT2A
SCHEMBL14859635 0.84 KMT2A (0.54) ALDH1A1SMN1; SMN2FAAHDRD2DRD4
SCHEMBL22790714 0.82 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2FAAHDRD2
SCHEMBL21450625 0.82 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2FAAHDRD2
SCHEMBL18291967 0.82 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2FAAHDRD2
SCHEMBL18292025 0.82 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2FAAHDRD2
SCHEMBL25063929 0.81 ALDH1A1 (0.63) ALDH1A1HTTSMN1; SMN2FAAHDRD2
SCHEMBL14860509 0.81 KMT2A (0.63) ALDH1A1HTTFAAHKMT2AKDM4E
SCHEMBL15560514 0.81 KMT2A (0.54) ALDH1A1FAAHKMT2AKDM4E
SCHEMBL4084709 0.81 KMT2A (0.73) ALDH1A1KMT2AKDM4EATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 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 (4 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-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 ALDH1A1 3075/4885HTT 3137/4885SMN1; SMN2 3087/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 ALDH1A1 3075/4885HTT 3137/4885SMN1; SMN2 3087/4885
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS CASP3, CASP5, CASP6 ALDH1A1 3462/4885HTT 3203/4885SMN1; SMN2 3100/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 ALDH1A1 3075/4885HTT 3137/4885SMN1; SMN2 3087/4885

“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.