SCHEMBL9921119

SCHEMBL9921119

O=C(/N=C(/Nc1cc(C(F)(F)F)n[nH]1)NC1CCOC1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
GSK3B P49841 2/20 0.38
KCNH2 Q12809 2/20 0.38
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CETP P11597 2/20 0.34
NAMPT P43490 2/20 0.34
FASN P49327 2/20 0.34
BRAF P15056 2/20 0.33
EPHX2 P34913 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PDPK1 O15530 1/20 0.33
GABRA5 P31644 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL9921133 0.95 GSK3B (0.39) MAPK1GSK3BKCNH2HDAC4HDAC6
SCHEMBL9921132 0.95 HDAC4 (0.40) MAPK1GSK3BKCNH2HDAC4HDAC6
SCHEMBL9921024 0.88 GSK3B (0.38) MAPK1GSK3BKCNH2HDAC6NAMPT
SCHEMBL9920911 0.88 NPC1 (0.39) KCNH2HDAC4HDAC6EPHX2RAB9A
SCHEMBL9920869 0.88 NPC1 (0.42) KCNH2HDAC4HDAC6EPHX2RAB9A
SCHEMBL9921025 0.88 HDAC6 (0.39) MAPK1GSK3BKCNH2HDAC4HDAC6
SCHEMBL18558259 0.86 TAS1R3 (0.35) KCNH2HDAC4RAB9ANPC1HTR2B
SCHEMBL9920882 0.86 CNR2 (0.39) MAPK1GSK3BKCNH2HDAC4HDAC6
SCHEMBL17089705 0.85 HDAC4 (0.41) GSK3BKCNH2HDAC4HDAC6GABRA5
SCHEMBL9920809 0.84 EPHX2 (0.40) MAPK1GSK3BKCNH2HDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL 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 (1 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME MAPK1 2483/4885GSK3B 4597/4885KCNH2 1623/4885

“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.