SCHEMBL9939756

SCHEMBL9939756

CC1(N/C(=N/C(=O)c2ccc(Cl)cc2)Nc2cccc(NS(=O)(=O)CC(F)(F)F)n2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
KIF18A Q8NI77 1/20 0.34
ANO1 Q5XXA6 2/20 0.33
FFAR2 O15552 1/20 0.32
HTR1F P30939 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 2/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CHRNA7 P36544 1/20 0.31
HSD11B1 P28845 1/20 0.31
FPR2 P25090 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 0.84 RXFP1 (0.41) RXFP1KIF18AFFAR2HTR1FSMN1; SMN2
SCHEMBL16621981 0.83 RXFP1 (0.42) RXFP1FFAR2HTR1FSMN1; SMN2GRM5
SCHEMBL16621982 0.82 RXFP1 (0.40) RXFP1KIF18AFFAR2HTR1FGRM5
SCHEMBL17283204 0.82 IDO1 (0.39) RXFP1KIF18AFFAR2HTR1F
SCHEMBL9938518 0.81 RXFP1 (0.42) RXFP1ANO1FFAR2HTR1FSMN1; SMN2
SCHEMBL9939788 0.79 RXFP1 (0.42) RXFP1ANO1HTR1FSMN1; SMN2GRM5
SCHEMBL9939541 0.79 CYP2D6 (0.38) RXFP1KIF18AFFAR2SMN1; SMN2GRM5
SCHEMBL9938519 0.77 VNN1 (0.37) RXFP1
SCHEMBL9939769 0.75 HSD11B1 (0.38) KIF18AGRM5HSD11B1L3MBTL1
SCHEMBL9939491 0.75 DEGS1 (0.35) GRM5BACE1

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 RXFP1 3462/4885KIF18A 1819/4885ANO1 3582/4885

“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.