SCHEMBL9939489

SCHEMBL9939489

O=C(/N=C(/NCc1ccccc1Cl)Nc1cccc(O)n1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CASP6 P55212 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9939681 0.89 SCN2A (0.43) SMN1; SMN2SCN2ASCN10AMAPTLMNA
SCHEMBL15479563 0.87 EPHX2 (0.42) ROCK2ROCK1
SCHEMBL9938512 0.87 PPARG (0.40) MAOBCNR2
SCHEMBL9939182 0.87 MAOB (0.40) MAOBNPC1ROCK2ROCK1
SCHEMBL17279293 0.86 PPARG (0.43) MAPTMAOBROCK2ROCK1
SCHEMBL9939575 0.85 TRPV1 (0.42) MAOBROCK2ROCK1
SCHEMBL9938507 0.83 TRPV1 (0.37) TP53MAPTLMNAMAOBROCK2
SCHEMBL9939502 0.83 LMNA (0.41) TP53MAPTLMNAROCK2ROCK1
SCHEMBL9939464 0.83 PPARG (0.43) MAOBROCK2ROCK1
SCHEMBL9939678 0.83 ROCK2 (0.41) CNR1ROCK2ROCK1

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 SMN1; SMN2 3079/4885SCN2A 3624/4885SCN10A 984/4885
US-20140051727-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B SMN1; SMN2 3079/4885SCN2A 3624/4885SCN10A 984/4885

“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.