SCHEMBL10041818

SCHEMBL10041818

NC(=O)CN1CCN(Cc2ccccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.62
▸ ALDH1A1 P00352 9/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PARP1 P09874 2/20 0.50

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
SCHEMBL30811211 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL8209027 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL21044013 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL26969150 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL30218423 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL8211724 0.86 KDM4E (0.68) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL1333260 0.83 CYP1A2 (0.71) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL20804356 0.83 CYP1A2 (0.71) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL1331974 0.83 CYP1A2 (0.71) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2
SCHEMBL29992091 0.83 CYP1A2 (0.71) KDM4EALDH1A1NPSR1L3MBTL1CYP1A2

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 15 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
US-20170105989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-20 — — US 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-20140073609-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-03-13 — — 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 (5 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 KDM4E 2112/4885ALDH1A1 892/4885NPSR1 4074/4885
US-20140073609-A1 Compositions and Methods Including Cell Death Inducers and Procaspase Activation CASP3, CASP6, CASP5 KDM4E 1245/4885ALDH1A1 2167/4885NPSR1 4569/4885
US-20170105989-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CANCER CASP3, CASP6, CASP5 KDM4E 529/4885ALDH1A1 926/4885NPSR1 4287/4885
US-20140315915-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KDM4E 1672/4885ALDH1A1 1256/4885NPSR1 3746/4885
US-20120040995-A1 DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS CASP3, CASP6, CASP14 KDM4E 1672/4885ALDH1A1 1256/4885NPSR1 3746/4885

“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.

Send feedback