SCHEMBL9939541

SCHEMBL9939541

O=C(/N=C(/Nc1cc(F)cc(Cl)c1)Nc1cccc(NS(=O)(=O)CC(F)(F)F)n1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
BRAF P15056 1/20 0.33
SLC6A9 P48067 2/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
GRM5 P41594 2/20 0.32
CTPS1 P17812 1/20 0.32
RAPGEF3 O95398 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KIF18A Q8NI77 1/20 0.31
FFAR2 O15552 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 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
SCHEMBL9939774 0.90 RXFP1 (0.40) CYP2D6RXFP1MEN1KMT2ASLC6A9
SCHEMBL17279294 0.87 RXFP1 (0.34) CYP2D6RXFP1MEN1KMT2ABRAF
SCHEMBL16621981 0.84 RXFP1 (0.42) RXFP1MEN1KMT2AGRM5FFAR2
SCHEMBL9939495 0.83 RXFP1 (0.41) CYP2D6RXFP1GRM5NPC1ALDH1A1
SCHEMBL9939492 0.83 CYP2D6 (0.40) CYP2D6RXFP1MEN1KMT2ARAPGEF3
SCHEMBL9939469 0.82 CNR1 (0.44) CYP2D6RXFP1MEN1KMT2AGRM5
SCHEMBL9939753 0.82 RXFP1 (0.37) CYP2D6RXFP1MEN1KMT2ASMN1; SMN2
SCHEMBL16621982 0.81 RXFP1 (0.40) CYP2D6RXFP1GRM5NPC1ALDH1A1
SCHEMBL9938519 0.81 VNN1 (0.37) RXFP1
SCHEMBL9938594 0.81 NAMPT (0.41) RXFP1MEN1KMT2ASMN1; SMN2

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-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-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 CYP2D6 1332/4885RXFP1 3462/4885MEN1 3119/4885

“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.