SCHEMBL10120105

SCHEMBL10120105

O=C(NCc1ccc2c(c1)OCO2)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.72
TP53 P04637 1/20 0.67
CRHBP P24387 1/20 0.67
RECQL P46063 1/20 0.67
CRHR2 Q13324 1/20 0.67
LMNA P02545 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
MAPK1 P28482 2/20 0.65
MMP13 P45452 1/20 0.65
HPGD P15428 5/20 0.63
TSHR P16473 3/20 0.62
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
HSP90AA1 P07900 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL10107741 0.92 ALDH2 (0.65) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107735 0.87 HPGD (0.65) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL503808 0.84 ALDH2 (1.00) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL1394364 0.84 TP53 (0.76) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL13435821 0.83 TP53 (0.61) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL13435815 0.82 ALDH2 (0.61) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107753 0.81 ALDH2 (0.73) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL5335238 0.79 MEN1 (1.00) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL12629146 0.79 TP53 (0.68) ALDH2TP53CRHBPRECQLCRHR2
SCHEMBL10107738 0.79 TP53 (0.68) ALDH2TP53CRHBPRECQLCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2126574-B1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF UNIV LELAND STANFORD JUNIOR (US) 2015-12-23 EP 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-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

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-20150105456-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885
US-20110105602-A2 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885
US-20190083457-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS FOR PROTECTING, EXPANDING AND INCREASING THE POTENCY OF HEMATOPOIETIC STEM CELLS ALDH2, ALDH5A1, ALDH1A1 ALDH2 1/4885TP53 924/4885CRHBP 4567/4885
US-20120010248-A1 Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 ALDH2 1/4885TP53 2919/4885CRHBP 3568/4885

“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.