SCHEMBL9939759

SCHEMBL9939759

CC(C)(C)c1ccccc1N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(O)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.38
PTGS1 P23219 1/20 0.37
TRPV1 Q8NER1 5/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALOX12 P18054 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GRM5 P41594 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 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
SCHEMBL9939671 0.85 LMNA (0.34) P2RY1ALDH1A1LMNAGRM5TP53
SCHEMBL9939784 0.83 MEN1 (0.38) PTGS1TRPV1LMNAMAPTGRM5
SCHEMBL9939456 0.83 SLC9A1 (0.36) PTGS1TRPV1LMNAMAPTRXFP1
SCHEMBL9939504 0.82 GRM5 (0.38) TRPV1LMNAMAPTGRM5MEN1
SCHEMBL15479559 0.82 EPHX2 (0.46) TRPV1MAPT
SCHEMBL9939546 0.81 GRM5 (0.36) TRPV1ALDH1A1LMNAMAPTGRM5
SCHEMBL9939508 0.81 MEN1 (0.37) PTGS1LMNAMAPTGRM5MEN1
SCHEMBL9939672 0.80 TRPV1 (0.43) TRPV1
SCHEMBL9939556 0.80 MAPT (0.48) PTGS1ALDH1A1LMNAMAPTRXFP1
SCHEMBL9939664 0.79 HDAC4 (0.41) LMNAMAPTRXFP1TP53MEN1

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 9 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
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 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 (2 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 P2RY1 32/4885PTGS1 428/4885TRPV1 3332/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B P2RY1 32/4885PTGS1 428/4885TRPV1 3332/4885

“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.