SCHEMBL5409080

SCHEMBL5409080

c1cc2[nH]ncc2cc1OC1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.57
ROCK1 Q13464 4/20 0.57
CCR2 P41597 2/20 0.57
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LRRK2 Q5S007 2/20 0.46
CSNK2A1 P68400 2/20 0.46
CDC7 O00311 2/20 0.46
DYRK3 O43781 2/20 0.46
CLK2 P49760 2/20 0.46
GSK3B P49841 2/20 0.46

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
SCHEMBL5413256 0.92 ROCK2 (0.52) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL26132172 0.89 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5416024 0.86 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5419161 0.86 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5409613 0.85 ROCK2 (0.60) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5410417 0.85 ROCK2 (0.60) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5412921 0.84 IKBKB (0.59) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5414892 0.82 ROCK2 (0.57) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5412316 0.82 ROCK1 (0.57) ROCK2ROCK1CCR2CHRM4KDM4E
SCHEMBL5407640 0.82 ROCK1 (0.57) ROCK2ROCK1CCR2CHRM4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-11247971-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHB ROCK2 4172/4885ROCK1 2490/4885CCR2 4748/4885
US-10961200-B2 Small molecule inhibitors of lactate dehydrogenase and methods of use thereof LDHB, LDHA, PDHA1 ROCK2 4250/4885ROCK1 2420/4885CCR2 4774/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CCR2 2824/4885
US-20220220078-A1 SMALL MOLECULE INHIBITORS OF LACTATE DEHYDROGENASE AND METHODS OF USE THEREOF LDHB, LDHA, PDHA1 ROCK2 4250/4885ROCK1 2420/4885CCR2 4774/4885

“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.