SCHEMBL9939770

SCHEMBL9939770

CCS(=O)(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)NCc2ccc(Cl)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
IDH1 O75874 2/20 0.37
GRM4 Q14833 3/20 0.36
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
VNN1 O95497 1/20 0.35
TRPV1 Q8NER1 3/20 0.34
P2RX7 Q99572 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
DDR1 Q08345 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
SCHEMBL9938519 0.91 VNN1 (0.37) RXFP1ROCK2ROCK1IDH1GRM4
SCHEMBL9939397 0.86 IDH1 (0.40) RXFP1ROCK2ROCK1IDH1EPHX2
SCHEMBL9939678 0.85 ROCK2 (0.41) RXFP1ROCK2ROCK1MAPK1GRM5
SCHEMBL9939466 0.85 GRM4 (0.38) RXFP1IDH1GRM4P2RX7
SCHEMBL16621988 0.84 NAMPT (0.40) ROCK2
SCHEMBL9939441 0.84 LMNA (0.42)
SCHEMBL16621983 0.84 IDH1 (0.39) RXFP1IDH1GRM5
SCHEMBL9939768 0.82 RXFP1 (0.43) RXFP1GRM5EPHX2NR1H4TRPV1
SCHEMBL9939797 0.81 ROCK2 (0.38) RXFP1ROCK2ROCK1MAPK1GRM5
SCHEMBL9939774 0.80 RXFP1 (0.40) RXFP1GRM5

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 8 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
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 (1 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 3462/4885ROCK2 1728/4885ROCK1 1135/4885

“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.