SCHEMBL9939766

SCHEMBL9939766

CC(C)(C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1cccc(NS(=O)(=O)CC(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
VNN1 O95497 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
PSMB8 P28062 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
SCHEMBL9939495 0.89 RXFP1 (0.41) ALDH1A1LMNAMAPTKIF18ACYP3A4
SCHEMBL9939769 0.87 HSD11B1 (0.38) KIF18ACYP3A4CYP2C9CYP2C19GRM5
SCHEMBL16621989 0.82 EPHX2 (0.38) LMNAKMT2ANPSR1
SCHEMBL9939783 0.81 CHRNA1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16621982 0.78 RXFP1 (0.40) ALDH1A1MAPTKIF18ACYP3A4CYP2C9
SCHEMBL16621981 0.77 RXFP1 (0.42) MAPTMEN1KMT2ASMN1; SMN2GRM5
SCHEMBL9938519 0.77 VNN1 (0.37) VNN1RXFP1
SCHEMBL9939541 0.76 CYP2D6 (0.38) BRAFALDH1A1MEN1KMT2AKIF18A
SCHEMBL16621990 0.76 EPHX2 (0.39)
SCHEMBL9939796 0.75 ANO1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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 8 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
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
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 (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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B BRAF 1620/4885CHRNA1 2443/4885CHRNG 3392/4885

“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.