SCHEMBL9939758

SCHEMBL9939758

O=C(/N=C(/Nc1cccc(O)n1)NC(C1CC1)C1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 3/20 0.36
PTGS1 P23219 1/20 0.36
IDO1 P14902 1/20 0.36
MCHR1 Q99705 4/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PDE2A O00408 3/20 0.34
DEGS1 O15121 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
SCHEMBL16621971 0.86 MDM2 (0.39) TRPV1PDE2A
SCHEMBL9939496 0.85 HDAC4 (0.39) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL9939747 0.83 EPHX2 (0.41) MEN1LMNAKMT2ATRPV1
SCHEMBL9939664 0.82 HDAC4 (0.41) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL15479561 0.82 EPHX2 (0.43) MEN1LMNAMAPTKMT2ATRPV1
SCHEMBL9939781 0.81 DEGS1 (0.37) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL9939789 0.80 HDAC4 (0.36) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL9939482 0.80 TAS1R3 (0.39) NPC1RAB9AMCHR1
SCHEMBL9938528 0.80 HDAC4 (0.44) MEN1KMT2ATRPV1MCHR1
SCHEMBL15479578 0.80 TRPV1 (0.42) TRPV1PDE2A

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 5 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
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 MEN1 3119/4885NPC1 2559/4885LMNA 2474/4885

“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.