SCHEMBL9920694

SCHEMBL9920694

O=C(/N=C(\Nc1cc(C(F)(F)F)n[nH]1)NC1CCOCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.43
HDAC4 P56524 5/20 0.43
HDAC6 Q9UBN7 4/20 0.43
EPHX2 P34913 4/20 0.40
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 1/20 0.35
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 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
SCHEMBL17089705 0.93 HDAC4 (0.41) TRPV1HDAC4HDAC6CCNA2CDK2
SCHEMBL9920699 0.91 TRPV1 (0.40) TRPV1HDAC4HDAC6EPHX2CCNA2
SCHEMBL9920693 0.91 TRPV1 (0.42) TRPV1HDAC4HDAC6EPHX2CCNA2
SCHEMBL19362654 0.90 TRPV1 (0.42) TRPV1HDAC4HDAC6EPHX2CCNA2
SCHEMBL9920809 0.89 EPHX2 (0.40) TRPV1HDAC4HDAC6EPHX2CCNA2
SCHEMBL9921132 0.89 HDAC4 (0.40) TRPV1HDAC4HDAC6EPHX2
SCHEMBL20016324 0.88 SCN9A (0.35) TRPV1HDAC6EPHX2CCNA2CDK2
SCHEMBL9921025 0.87 HDAC6 (0.39) TRPV1HDAC4HDAC6EPHX2CDK2
SCHEMBL18558553 0.87 MAPK8 (0.42) TRPV1HDAC4HDAC6EPHX2
SCHEMBL18557559 0.87 TRPV1 (0.42) TRPV1HDAC4HDAC6EPHX2

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 TRPV1 3419/4885HDAC4 1902/4885HDAC6 2034/4885

“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.