SCHEMBL10107718

SCHEMBL10107718

COc1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
ALDH1A1 P00352 1/20 0.62
APEX1 P27695 1/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.58
ALDH2 P05091 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 2/20 0.55
NOD2 Q9HC29 1/20 0.55

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
SCHEMBL16135570 0.92 GAA (0.66) LMNAALDH1A1APEX1HPGDKMT2A
SCHEMBL16135569 0.90 LMNA (0.58) LMNAHPGDALDH2GAATSHR
SCHEMBL21196399 0.88 LMNA (0.54) LMNAHPGDALDH2GAA
SCHEMBL16135568 0.88 LMNA (0.57) LMNAALDH1A1HPGDSMN1; SMN2ALDH2
SCHEMBL17695175 0.85 ALDH1A1 (0.64) LMNAALDH1A1APEX1SMN1; SMN2KMT2A
SCHEMBL28880840 0.84 KMT2A (0.56) LMNAALDH1A1APEX1HPGDKMT2A
SCHEMBL16135719 0.84 LMNA (0.55) LMNAALDH1A1HPGDSMN1; SMN2ALDH2
SCHEMBL16135571 0.84 GAA (0.60) LMNAALDH1A1APEX1HPGDKMT2A
SCHEMBL6355147 0.82 MMP13 (0.68) LMNAALDH1A1APEX1HPGDSMN1; SMN2
SCHEMBL16135704 0.82 LMNA (0.53) LMNAHPGDKMT2AALDH2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970124-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2019-05-22 EP disclosed
US-20190083457-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-03-21 US 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-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-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-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-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 US disclosed
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-04-21 US disclosed
US-9315484-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees—Leland Stanford Junior University (US) 2016-04-19 US disclosed
US-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-16 US disclosed
US-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-04-16 US disclosed
WO-2014160185-A2 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-02 WO disclosed
US-20120010248-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 2012-01-12 US disclosed
US-20120010248-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 2012-01-12 US 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
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
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
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 (8 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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 LMNA 3963/4885ALDH1A1 13/4885APEX1 880/4885
US-20160107996-A1 Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, SHMT2 LMNA 3604/4885ALDH1A1 36/4885APEX1 802/4885
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 LMNA 3963/4885ALDH1A1 13/4885APEX1 880/4885
US-20190083457-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS ALDH2, ALDH5A1, ALDH1A1 LMNA 3241/4885ALDH1A1 3/4885APEX1 162/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 LMNA 3963/4885ALDH1A1 13/4885APEX1 880/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 LMNA 3963/4885ALDH1A1 13/4885APEX1 880/4885
US-20170320828-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, DLD LMNA 2730/4885ALDH1A1 68/4885APEX1 474/4885
US-10227304-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof ALDH2, ALDH5A1, DLD LMNA 2730/4885ALDH1A1 68/4885APEX1 474/4885

“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.