SCHEMBL9939495

SCHEMBL9939495

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
GRM5 P41594 1/20 0.33
FFAR2 O15552 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR1F P30939 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
GBA1 P04062 1/20 0.32
RAB9A P51151 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.32
KIF18A Q8NI77 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL9939769 0.91 HSD11B1 (0.38) GRM5HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL9939766 0.89 BRAF (0.35) RXFP1GRM5CYP3A4CYP2C9CYP2C19
SCHEMBL16621982 0.89 RXFP1 (0.40) RXFP1GRM5FFAR2HSD11B1CYP3A4
SCHEMBL16621981 0.88 RXFP1 (0.42) RXFP1GRM5FFAR2HSD11B1HTR1F
SCHEMBL9939756 0.84 RXFP1 (0.37) RXFP1GRM5FFAR2HSD11B1HTR1F
SCHEMBL9939541 0.83 CYP2D6 (0.38) RXFP1GRM5FFAR2CYP3A4CYP2D6
SCHEMBL17283204 0.83 IDO1 (0.39) RXFP1FFAR2HTR1FMAPTKIF18A
SCHEMBL9938519 0.82 VNN1 (0.37) RXFP1
SCHEMBL9939768 0.79 RXFP1 (0.43) RXFP1GRM5HSD11B1HTR1FL3MBTL1
SCHEMBL9938514 0.74 RXFP1 (0.43) RXFP1GRM5FFAR2HTR1FL3MBTL1

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 3462/4885GRM5 961/4885FFAR2 4727/4885

“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.