SCHEMBL17895374

SCHEMBL17895374

COc1cccc(-c2n[nH]cc2Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
DCUN1D1 Q96GG9 1/20 0.49
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ADORA2A P29274 4/20 0.46
NOTUM Q6P988 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
XDH P47989 1/20 0.46
ADORA1 P30542 2/20 0.45
ADORA2B P29275 1/20 0.45
NISCH Q9Y2I1 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL29484271 1.00 GAA (0.50) GAADCUN1D1DYRK1ACLK4ADORA2A
SCHEMBL28113638 0.81 ADORA2A (0.50) GAADCUN1D1DYRK1ACLK4ADORA2A
SCHEMBL3850635 0.80 MEN1 (0.51) DYRK1AALDH1A1LMNAXDHADORA1
SCHEMBL29484273 0.78 GP6 (0.42) DYRK1ACLK4ALDH1A1NISCHNPC1
SCHEMBL3846446 0.75 PDE4A (0.49) GAAALDH1A1ADORA1TDP1CDK5
SCHEMBL518672 0.75 ALOX15 (0.48) GAADYRK1ACLK4NR1H2NR1H3
SCHEMBL8888676 0.73 GAA (0.52) GAADCUN1D1DYRK1ACLK4ADORA2A
SCHEMBL4700185 0.72 TDO2 (0.55) DYRK1ACLK4ADORA2ANOTUMNR1H2
SCHEMBL196765 0.72 CYP3A4 (0.73) GAADYRK1ACLK4NOTUMALDH1A1
SCHEMBL29489425 0.72 CYP3A4 (0.73) GAADYRK1ACLK4NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954685-B1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF US HEALTH (US) 2025-08-27 EP disclosed
US-12365653-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 SERVIC (US) 2025-07-22 US disclosed
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2024-11-07 US disclosed
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
CN-107624112-B Small molecule inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2022-03-04 CN 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-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
CN-107624112-A Small molecule inhibitors of lactate dehydrogenase and methods of use thereof 美国政府健康及人类服务部 2018-01-23 CN 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 257/4885DCUN1D1 1067/4885DYRK1A 4374/4885
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 GAA 273/4885DCUN1D1 949/4885DYRK1A 4419/4885
US-20180273488-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB GAA 265/4885DCUN1D1 1019/4885DYRK1A 4672/4885
US-11897845-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 GAA 273/4885DCUN1D1 949/4885DYRK1A 4419/4885
US-10351532-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB GAA 257/4885DCUN1D1 1067/4885DYRK1A 4374/4885
US-12365653-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 GAA 273/4885DCUN1D1 949/4885DYRK1A 4419/4885
US-20210323928-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHB GAA 265/4885DCUN1D1 1019/4885DYRK1A 4672/4885
US-20240368087-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 GAA 273/4885DCUN1D1 949/4885DYRK1A 4419/4885
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 GAA 273/4885DCUN1D1 949/4885DYRK1A 4419/4885

“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.