SCHEMBL9921133

SCHEMBL9921133

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCCOC1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAPK1 P28482 2/20 0.36
CNR2 P34972 1/20 0.36
NAMPT P43490 3/20 0.35
EPHX2 P34913 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC4 P56524 3/20 0.32
SSTR3 P32745 1/20 0.32
NTRK1 P04629 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CXCR2 P25025 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL9921119 0.95 MAPK1 (0.39) GSK3BKCNH2MAPK1NAMPTEPHX2
SCHEMBL9921024 0.93 GSK3B (0.38) GSK3BKCNH2MAPK1CNR2NAMPT
SCHEMBL9920882 0.91 CNR2 (0.39) GSK3BKCNH2MAPK1CNR2NAMPT
SCHEMBL9920911 0.90 NPC1 (0.39) KCNH2EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9920869 0.90 NPC1 (0.42) KCNH2EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL9920809 0.90 EPHX2 (0.40) GSK3BKCNH2MAPK1CNR2NAMPT
SCHEMBL9921132 0.90 HDAC4 (0.40) GSK3BKCNH2MAPK1CNR2EPHX2
SCHEMBL18558259 0.85 TAS1R3 (0.35) KCNH2NPC1RAB9ASMN1; SMN2HDAC4
SCHEMBL9920822 0.83 HDAC6 (0.36) MAPK1HDAC4HDAC6
SCHEMBL9920885 0.83 ACKR3 (0.37) EPHX2NPC1RAB9ASMN1; SMN2HDAC4

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-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
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-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 GSK3B 4597/4885KCNH2 1623/4885MAPK1 2483/4885

“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.