SCHEMBL10041822

SCHEMBL10041822

COc1ccc(OC)c(CN2CCN(CC(N)=O)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 4/20 0.60
TSHR P16473 1/20 0.58
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL12222581 0.86 NPC1 (0.58) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL12222580 0.84 NPC1 (0.58) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27615799 0.82 MEN1 (0.64) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14019999 0.81 KDM4E (0.55) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL21538245 0.80 KDM4E (0.67) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL18182089 0.80 KDM4E (0.67) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9426828 0.80 MTNR1B (0.64) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL9830022 0.80 KDM4E (0.68) NPC1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10071056 0.79 SIGMAR1 (0.62) MEN1KMT2AALDH1A1DRD2DRD4
SCHEMBL4395358 0.79 DRD4 (0.51) MEN1KMT2AKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
US-9643960-B2 Procaspase activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-09 US disclosed
EP-2393794-B1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS UNIV ILLINOIS (US) 2017-03-22 EP disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-12-03 US disclosed
US-9102661-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY ILLINOIS (US) 2015-08-11 US disclosed
US-9102661-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY ILLINOIS (US) 2015-08-11 US disclosed
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-23 US disclosed
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-23 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
US-8778945-B2 Design, synthesis and evaluation of procaspase activating compounds as personalized anti-cancer drugs THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-07-15 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-16 US disclosed
WO-2010091382-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-08-12 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 (3 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-20150344452-A1 PROCASPASE ACTIVATING COMPOUNDS CASP3, CASP6, BAX NPC1 3718/4885MEN1 3781/4885KMT2A 3165/4885
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 NPC1 4085/4885MEN1 3644/4885KMT2A 3466/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 NPC1 4085/4885MEN1 3644/4885KMT2A 3466/4885

“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.