SCHEMBL10107755

SCHEMBL10107755

CN(Cc1ccc2c(c1)OCO2)C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.66
ALDH2 P05091 1/20 0.59
HPGD P15428 3/20 0.57
PDE7B Q9NP56 1/20 0.49
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
CYP3A4 P08684 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL20677846 0.80 HSP90AA1 (1.00) HSP90AA1HPGDPDE7BMEN1KMT2A
SCHEMBL11390038 0.78 HPGD (0.64) HSP90AA1HPGDTSHRALDH1A1GAA
SCHEMBL12632572 0.78 HSP90AA1 (0.60) HSP90AA1HPGDTSHRALDH1A1GAA
SCHEMBL8299002 0.77 HSP90AA1 (0.65) HSP90AA1HPGDPDE7BTSHRALDH1A1
SCHEMBL95064 0.76 HPGD (0.65) HSP90AA1HPGDTSHRALDH1A1GAA
SCHEMBL4768048 0.75 HPGD (0.54) HSP90AA1HPGDTSHRALDH1A1GAA
SCHEMBL503808 0.74 ALDH2 (1.00) HSP90AA1ALDH2HPGDTSHRALDH1A1
SCHEMBL3235551 0.74 HSP90AA1 (0.58) HSP90AA1HPGDALDH1A1MEN1KMT2A
SCHEMBL8349898 0.74 TRPM8 (0.62) HSP90AA1HPGDTSHRALDH1A1KMT2A
SCHEMBL7853871 0.73 ALDH2 (0.80) ALDH2HPGDTSHRGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9273025-B2 2016-03-01 US disclosed
US-9273025-B2 2016-03-01 US disclosed
US-9102651-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees-Leland Stanford Junior University (US) 2015-08-11 US disclosed
US-9102651-B2 Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof The Board of Trustees-Leland Stanford Junior University (US) 2015-08-11 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
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-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 (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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 HSP90AA1 718/4885ALDH2 1/4885HPGD 184/4885
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 HSP90AA1 718/4885ALDH2 1/4885HPGD 184/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 HSP90AA1 718/4885ALDH2 1/4885HPGD 184/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 HSP90AA1 718/4885ALDH2 1/4885HPGD 184/4885

“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.