SCHEMBL1395310

SCHEMBL1395310

O=C(NCc1ccc2c(c1)OCO2)c1ccccc1I

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
POLB P06746 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPK1 P28482 2/20 0.64
LMNA P02545 1/20 0.64
MMP13 P45452 1/20 0.64
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
ALDH2 P05091 1/20 0.60
PKM P14618 1/20 0.60
TP53 P04637 1/20 0.60
CRHBP P24387 1/20 0.60
RECQL P46063 1/20 0.60
CRHR2 Q13324 1/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL12700347 0.87 HPGD (0.72) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL20830056 0.85 HPGD (0.72) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL20828646 0.85 HPGD (0.73) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL1394561 0.85 HPGD (0.69) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL12062499 0.85 HPGD (0.69) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL28707664 0.84 HPGD (0.67) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL10107748 0.82 HPGD (0.66) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL10107735 0.81 HPGD (0.65) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL4925396 0.81 MEN1 (0.84) HPGDMEN1KMT2APOLBALDH1A1
SCHEMBL10107742 0.81 ALDH2 (0.77) HPGDMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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-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-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-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
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
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
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
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 (3 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 HPGD 184/4885MEN1 4768/4885KMT2A 2094/4885
US-20090082431-A1 MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF ALDH2, ALDH5A1, AK2 HPGD 184/4885MEN1 4768/4885KMT2A 2094/4885
US-20100113423-A1 Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof ALDH2, ALDH3A1, ALDH1A1 HPGD 86/4885MEN1 4664/4885KMT2A 2109/4885

“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.