SCHEMBL9901953

SCHEMBL9901953

O=C(N=C(Nc1cccc(O)n1)Nc1ccc(F)cc1C1CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.38
CYP2C9 P11712 4/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
MCHR1 Q99705 1/20 0.34
CYP2D6 P10635 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
HTR1F P30939 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL9901951 1.00 SLC9A1 (0.38) SLC9A1CYP2C9CYP2C19CYP3A4MCHR1
SCHEMBL15479554 0.89 OPRM1 (0.35) HTR1FMEN1MAPTKMT2ANPC1
SCHEMBL9939456 0.89 SLC9A1 (0.36) SLC9A1CYP2C9CYP2C19MCHR1TRPV1
SCHEMBL15479556 0.88 GRM5 (0.34) SLC9A1CYP2C9CYP2C19CYP3A4HTR1F
SCHEMBL15477262 0.87 SLC9A1 (0.35) SLC9A1CYP2C9CYP2C19CYP3A4MCHR1
SCHEMBL9902040 0.86 SORT1 (0.35) SLC9A1CYP2C9CYP2C19CYP3A4MCHR1
SCHEMBL9902052 0.86 SORT1 (0.35) SLC9A1CYP2C9CYP2C19CYP3A4MCHR1
SCHEMBL9938509 0.81 MAPT (0.41) MCHR1MEN1LMNAMAPTKMT2A
SCHEMBL9939496 0.79 HDAC4 (0.39) MCHR1TRPV1MEN1LMNAMAPT
SCHEMBL9939747 0.78 EPHX2 (0.41) TRPV1MEN1LMNAKMT2AHTT

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-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2014-02-20 US disclosed
EP-2648710-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP 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 SLC9A1 1531/4885CYP2C9 2070/4885CYP2C19 1742/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B SLC9A1 1531/4885CYP2C9 2070/4885CYP2C19 1742/4885

“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.