SCHEMBL17895674

SCHEMBL17895674

C=C(Cn1nnc2ccccc21)C(=O)C(=C)Cn1nnc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.63
MGAM O43451 10/20 0.63
AMY1A P0DUB6 10/20 0.63
SI P14410 10/20 0.63
MGAM2 Q2M2H8 10/20 0.63
RAB9A P51151 7/20 0.63
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SLC9A1 P19634 1/20 0.54
GRM2 Q14416 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL13821381 0.89 GAA (0.66) GAAMGAMAMY1ASIMGAM2
SCHEMBL28219277 0.84 GAA (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL11500266 0.81 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL361654 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL29625506 0.81 GAA (0.73) GAAMGAMAMY1ASIMGAM2
SCHEMBL2070662 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL29479841 0.80 SLC9A1 (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL2490940 0.80 SLC9A1 (0.61) GAAMGAMAMY1ASIMGAM2
SCHEMBL11524883 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL29937880 0.80 GAA (0.67) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-13 US disclosed
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 US disclosed
EP-3954685-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2022-02-16 EP disclosed
US-11247971-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-02-15 US disclosed
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-10-21 US disclosed
EP-3240785-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2021-07-07 EP disclosed
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-03-30 US disclosed
US-10954228-B2 1 H-pyrazol-1-yl-thiazoles as inhibitors of lactate dehydrogenase and methods of use thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-03-23 US disclosed
US-20190276448-A1 1 H-PYRAZOL-1-YL-THIAZOLES AS INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UAB RESEARCH FOUNDATION 2019-09-12 US disclosed
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 US disclosed
US-20180273488-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UAB RESEARCH FOUNDATION 2018-09-27 US disclosed
EP-3240785-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-08 EP disclosed
WO-2016109559-A2 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-07-07 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 (9 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-11247971-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB GAA 257/4885MGAM 1051/4885AMY1A 483/4885
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 GAA 273/4885MGAM 1125/4885AMY1A 530/4885
US-20180273488-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB GAA 265/4885MGAM 1093/4885AMY1A 642/4885
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 GAA 273/4885MGAM 1125/4885AMY1A 530/4885
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB GAA 257/4885MGAM 1051/4885AMY1A 483/4885
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB GAA 265/4885MGAM 1093/4885AMY1A 642/4885
US-10954228-B2 1 H-pyrazol-1-yl-thiazoles as inhibitors of lactate dehydrogenase and methods of use thereof PDK1, LDHA, PDK2 GAA 290/4885MGAM 775/4885AMY1A 1227/4885
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 GAA 273/4885MGAM 1125/4885AMY1A 530/4885
US-20190276448-A1 1 H-PYRAZOL-1-YL-THIAZOLES AS INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF PDK1, LDHA, PDK2 GAA 290/4885MGAM 775/4885AMY1A 1227/4885

“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.