SCHEMBL9939786

SCHEMBL9939786

O=C(/N=C(\Nc1cccc(O)n1)NC1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HTR1F P30939 1/20 0.33
GRM5 P41594 3/20 0.33
ACKR3 P25106 1/20 0.33
HSD11B1 P28845 1/20 0.32
CNR1 P21554 2/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC4 P56524 1/20 0.32
LMNA P02545 1/20 0.32
IDO1 P14902 1/20 0.32
PTGES O14684 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 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
SCHEMBL9939789 0.90 HDAC4 (0.36) MAPTHDAC4LMNAPDE4BNPC1
SCHEMBL9939488 0.88 RXFP1 (0.44) RXFP1MAPTCNR1SMN1; SMN2LMNA
SCHEMBL9939560 0.85 CNR2 (0.41) RXFP1GRM5ACKR3CNR1HDAC4
SCHEMBL9939496 0.85 HDAC4 (0.39) MAPTHDAC4LMNAPDE4BNPC1
SCHEMBL17279289 0.84 CRHR1 (0.34) RXFP1KDM4EMAPTGRM5ACKR3
SCHEMBL9939747 0.81 EPHX2 (0.41) ACKR3SMN1; SMN2HDAC4LMNA
SCHEMBL9939757 0.81 KCNQ3 (0.40) ACKR3SMN1; SMN2PDE4BPDE4DNPC1
SCHEMBL9939482 0.81 TAS1R3 (0.39) GRM5SMN1; SMN2HDAC4PDE4BNPC1
SCHEMBL9939501 0.80 PDE4B (0.39) ACKR3PDE4APDE4BPDE4CPDE4D
SCHEMBL15479561 0.80 EPHX2 (0.43) MAPTACKR3SMN1; SMN2HDAC4LMNA

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 7 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
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 RXFP1 3462/4885KDM4E 1396/4885MAPT 2707/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B RXFP1 3462/4885KDM4E 1396/4885MAPT 2707/4885

“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.