SCHEMBL9939792

SCHEMBL9939792

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35
ERN1 O75460 1/20 0.35
HSD17B14 Q9BPX1 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRND Q07001 1/20 0.35
MAOB P27338 1/20 0.35
GRM5 P41594 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.34
RPS6KA5 O75582 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
SCHEMBL16621974 0.89 HPGD (0.40) HSD17B14MAPK1RPS6KA5MAP4K4PRKCG
SCHEMBL16621973 0.88 MAPK1 (0.37) GRM5MAPK1NR1H4
SCHEMBL9939793 0.85 RXFP1 (0.47) GRM5KMT2AMAPK1SMN1; SMN2RXFP1
SCHEMBL9939783 0.85 CHRNA1 (0.38) CES1CES2HSD17B14CHRNA1CHRNG
SCHEMBL9939796 0.82 ANO1 (0.35) CES1CES2HSD17B14CHRNA1CHRNG
SCHEMBL9939795 0.82 NPC1 (0.41) MEN1KMT2AMAPK1SMN1; SMN2HTR2B
SCHEMBL9939798 0.82 NPC1 (0.39) HSD17B14GRM5MEN1KMT2AMAPK1
SCHEMBL9939757 0.82 KCNQ3 (0.40) CES1CES2HSD17B14MAOBSMN1; SMN2
SCHEMBL9939472 0.81 KDR (0.41) CES1GRM5MEN1KMT2AGSK3A
SCHEMBL9939575 0.81 TRPV1 (0.42) CES1CES2HSD17B14MAOBMAPK1

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 CES1 1766/4885CES2 4224/4885ERN1 1279/4885

“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.