SCHEMBL9939664

SCHEMBL9939664

O=C(/N=C(/NCC1CC1)Nc1cccc(O)n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MTTP P55157 4/20 0.40
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CRHR1 P34998 1/20 0.36
EPHA3 P29320 1/20 0.36
FRK P42685 1/20 0.36
MAPK14 Q16539 1/20 0.36
MCHR1 Q99705 2/20 0.36
MLYCD O95822 1/20 0.35
VCP P55072 1/20 0.35
CHRM4 P08173 1/20 0.35
ROCK2 O75116 1/20 0.35
CETP P11597 2/20 0.34
KCNH2 Q12809 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
SCHEMBL9939780 0.95 HDAC6 (0.43) HDAC4HDAC6MTTPCKS1BSKP1
SCHEMBL9939508 0.85 MEN1 (0.37) MAPTMEN1NPC1LMNARAB9A
SCHEMBL9939672 0.85 TRPV1 (0.43) MAPK14MLYCD
SCHEMBL9939496 0.85 HDAC4 (0.39) HDAC4HDAC6MAPTCRHR1MAPK14
SCHEMBL9939747 0.83 EPHX2 (0.41) HDAC4HDAC6MEN1LMNAKMT2A
SCHEMBL9939784 0.82 MEN1 (0.38) MAPTMCHR1MEN1NPC1LMNA
SCHEMBL15479561 0.82 EPHX2 (0.43) HDAC4HDAC6MAPTMEN1LMNA
SCHEMBL9939758 0.82 MEN1 (0.37) MAPTMCHR1MEN1NPC1LMNA
SCHEMBL9939546 0.82 GRM5 (0.36) MAPTMCHR1MEN1NPC1LMNA
SCHEMBL9939527 0.81 VNN1 (0.43) MAPTTP53MAPK14MEN1NPC1

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 HDAC4 2116/4885HDAC6 2112/4885MTTP 4675/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B HDAC4 2116/4885HDAC6 2112/4885MTTP 4675/4885

“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.