SCHEMBL9900715

SCHEMBL9900715

O=C(NC(=S)NCc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.58
ALDH1A1 P00352 4/20 0.57
ALOX12 P18054 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.57
PPARG P37231 4/20 0.52
MITF O75030 1/20 0.51
PLA2G1B P04054 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9939749 0.90 ALDH1A1 (0.72) EPHX2ALDH1A1ALOX12LMNAMAPT
SCHEMBL28438485 0.80 EPHX2 (0.52) EPHX2ALDH1A1ALOX12LMNAMAPT
SCHEMBL5643051 0.78 EPHX2 (0.79) EPHX2ALDH1A1PPARGTAOK1TAOK3
SCHEMBL14859859 0.76 ALDH1A1 (0.58) EPHX2ALDH1A1ALOX12LMNAMAPT
SCHEMBL28207104 0.76 EPHX2 (0.71) EPHX2PPARGTAOK1TAOK3
SCHEMBL14860134 0.74 ALDH1A1 (0.59) EPHX2ALDH1A1ALOX12LMNAMAPT
SCHEMBL5455469 0.74 ALDH1A1 (0.80) ALDH1A1ALOX12LMNAMAPTPLA2G1B
SCHEMBL28648368 0.74 EPHX2 (0.68) EPHX2PPARGTAOK1TAOK3
SCHEMBL2522981 0.73 ALDH1A1 (0.77) ALDH1A1ALOX12LMNAMAPTPLA2G1B
SCHEMBL28647957 0.73 EPHX2 (0.67) EPHX2PPARGTAOK1TAOK3

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-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
CN-103458886-B Pyriconyl guanidine F1F0-atpase inhibitor and therapeutical uses thereof 莱斯拉公司 2016-06-08 CN disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 US disclosed
CN-103458886-A Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORP 2013-12-18 CN disclosed
EP-2648710-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 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 (2 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B EPHX2 2494/4885ALDH1A1 1852/4885ALOX12 3871/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B EPHX2 2494/4885ALDH1A1 1852/4885ALOX12 3871/4885

“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.