SCHEMBL1394900

SCHEMBL1394900

CN(C)c1ccc2c(C=O)cc(=O)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.58
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TNKS2 Q9H2K2 3/20 0.39
CYP2A6 P11509 1/20 0.38
CYP2A13 Q16696 1/20 0.38
IP6K1 Q92551 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL74712 0.83 AR (0.65) ARKDM4EALDH1A1HPGDGLA
SCHEMBL29379051 0.83 AR (0.65) ARKDM4EALDH1A1HPGDGLA
SCHEMBL2268508 0.78 AR (0.61) ARKDM4EALDH1A1HPGDGLA
SCHEMBL1771691 0.74 AR (1.00) AR
SCHEMBL30429924 0.73 CYP1A2 (0.63) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL96924 0.73 CYP1A2 (0.63) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL28067946 0.72 CA12 (0.53) ARKDM4EALDH1A1HPGDGLA
SCHEMBL27239622 0.70 MAOA (0.54) ARKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4553044 0.69 AR (0.51) ARKDM4EALDH1A1TP53PDE3B
SCHEMBL1395286 0.69 IGLV6-57 (0.51) ARKDM4EALDH1A1HPGDGLA

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458910-B Mitochondrial aldehyde dehydrogenase 2(ALDH2) binding polycyclic amides and their use for treating cancer 亚倍生技制药公司 2020-11-06 CN disclosed
EP-3107899-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE 2 (ALDH2) BINDING POLYCYCLIC AMIDES AND THEIR USE FOR THE TREATMENT OF CANCER AVIV THERAPEUTICS INC (US) 2020-08-12 EP disclosed
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 EP disclosed
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-12 US disclosed
US-9879036-B2 Mitochondrial aldehyde dehydrogenase-2 binding compounds and methods of use thereof AVIV THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-11-09 US disclosed
US-9670162-B2 Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2017-06-06 US disclosed
US-20170057982-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 BINDING COMPOUNDS AND METHODS OF USE THEREOF AVIV THERAPEUTICS, INC. (US) 2017-03-02 US disclosed
EP-3107899-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE 2 (ALDH2) BINDING POLYCYCLIC AMIDES AND THEIR USE FOR THE TREATMENT OF CANCER Aldea Pharmaceuticals, Inc. (US) 2016-12-28 EP disclosed
US-9370506-B2 Modulators of aldehyde dehydrogenase and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-06-21 US disclosed
EP-2337563-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF The Board of Trustees of The Leland Stanford Junior University (US) 2011-06-29 EP disclosed
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-05-05 US disclosed
WO-2010062308-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-03 WO disclosed
US-20100113423-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-05-06 US disclosed
WO-2010028175-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-03-11 WO disclosed
US-20100063100-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-11 US disclosed
CN-101669030-A Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof UNIV LELAND STANFORD JUNIOR 2010-03-10 CN disclosed
EP-2126574-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF The Board of Trustees of The Leland Stanford Junior University (US) 2009-12-02 EP disclosed
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-26 US disclosed
WO-2008112164-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-09-18 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 (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-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 AR 858/4885KDM4E 2814/4885ALDH1A1 13/4885
US-20170057982-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 BINDING COMPOUNDS AND METHODS OF USE THEREOF ALDH2, DLD, ALDH5A1 AR 2523/4885KDM4E 2893/4885ALDH1A1 25/4885
US-20100063100-A1 MODULATORS OF ALDEHYDE DEHYDROGENASE ACTIVITY AND METHODS OF USE THEREOF ALDH2, ALDH3A1, ALDH1A1 AR 1372/4885KDM4E 1841/4885ALDH1A1 3/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 AR 858/4885KDM4E 2814/4885ALDH1A1 13/4885
US-20100113423-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof ALDH2, ALDH3A1, ALDH1A1 AR 935/4885KDM4E 1876/4885ALDH1A1 3/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD AR 2149/4885KDM4E 2145/4885ALDH1A1 68/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD AR 2149/4885KDM4E 2145/4885ALDH1A1 68/4885

“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.