SCHEMBL9938514

SCHEMBL9938514

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
GRM5 P41594 4/20 0.36
HTR1F P30939 1/20 0.36
RAB9A P51151 3/20 0.36
GBA1 P04062 1/20 0.36
FFAR2 O15552 1/20 0.34
NPC1 O15118 2/20 0.34
CNR1 P21554 2/20 0.34
KMT2A Q03164 2/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
SORT1 Q99523 1/20 0.33
PPARG P37231 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9939504 0.89 GRM5 (0.38) GRM5RAB9ANPC1KMT2ALMNA
SCHEMBL9938598 0.86 RXFP1 (0.44) RXFP1GRM5HTR1FRAB9AGBA1
SCHEMBL9939637 0.82 RXFP1 (0.44) RXFP1GRM5HTR1FRAB9AGBA1
SCHEMBL9939784 0.81 MEN1 (0.38) GRM5RAB9ANPC1KMT2ALMNA
SCHEMBL9939793 0.80 RXFP1 (0.47) RXFP1GRM5HTR1FRAB9AGBA1
SCHEMBL15479578 0.79 TRPV1 (0.42) RXFP1FFAR2
SCHEMBL9939676 0.78 RXFP1 (0.48) RXFP1KMT2ALMNACNR2TDP1
SCHEMBL9939546 0.78 GRM5 (0.36) GRM5RAB9ANPC1KMT2ALMNA
SCHEMBL9939783 0.77 CHRNA1 (0.38) RXFP1GRM5RAB9ANPC1KMT2A
SCHEMBL9939779 0.77 MAOB (0.38) RXFP1GRM5RAB9ANPC1CNR2

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 RXFP1 3462/4885GRM5 961/4885HTR1F 1062/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B RXFP1 3462/4885GRM5 961/4885HTR1F 1062/4885

“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.