SCHEMBL9920809

SCHEMBL9920809

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCCOC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
MAPK1 P28482 2/20 0.37
GSK3B P49841 1/20 0.37
KCNH2 Q12809 1/20 0.37
NAMPT P43490 2/20 0.36
TRPV1 Q8NER1 5/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 3/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL9920882 0.93 CNR2 (0.39) EPHX2MAPK1GSK3BKCNH2NAMPT
SCHEMBL9920699 0.90 TRPV1 (0.40) EPHX2TRPV1CCNA2CDK2CCNA1
SCHEMBL9920693 0.90 TRPV1 (0.42) EPHX2TRPV1CCNA2CDK2CCNA1
SCHEMBL9921133 0.90 GSK3B (0.39) EPHX2MAPK1GSK3BKCNH2NAMPT
SCHEMBL9920694 0.89 TRPV1 (0.43) EPHX2TRPV1CCNA2CDK2CCNA1
SCHEMBL9921024 0.88 GSK3B (0.38) EPHX2MAPK1GSK3BKCNH2NAMPT
SCHEMBL19362654 0.84 TRPV1 (0.42) EPHX2KCNH2TRPV1CCNA2CDK2
SCHEMBL9921119 0.84 MAPK1 (0.39) EPHX2MAPK1GSK3BKCNH2NAMPT
SCHEMBL20016324 0.83 SCN9A (0.35) EPHX2GSK3BNAMPTTRPV1CCNA2
SCHEMBL9921137 0.82 CCNA2 (0.41) MAPK1CCNA2CDK2CCNA1HDAC4

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 EPHX2 3606/4885MAPK1 2483/4885GSK3B 4597/4885

“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.