SCHEMBL9939544

SCHEMBL9939544

O=C(/N=C(/NCc1ccc(C(F)(F)F)cc1)Nc1cccc(O)n1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
USP36 Q9P275 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
MAPK14 Q16539 1/20 0.39
MTOR P42345 1/20 0.39
PTGER4 P35408 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL9939672 0.95 TRPV1 (0.43) PPARGPPARATRPV1MAPK14MTOR
SCHEMBL9938508 0.92 RXFP1 (0.46) RXFP1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL9939527 0.91 VNN1 (0.43) ALDH1A1HPGDPPARGPPARAMEN1
SCHEMBL9900564 0.90 TP53 (0.40) HPGDMEN1KMT2AMAPTCYP1A2
SCHEMBL9900567 0.90 TP53 (0.40) HPGDMEN1KMT2AMAPTCYP1A2
SCHEMBL9939760 0.89 LMNA (0.43) PPARGPPARAMEN1KMT2AMAPT
SCHEMBL9939656 0.89 LMNA (0.41) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL9939564 0.87 MLYCD (0.50) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL9939659 0.86 MLYCD (0.37) MEN1KMT2AMAPTTRPV1MAPK14
SCHEMBL9939464 0.85 PPARG (0.43) RXFP1PPARGTRPV1

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 3462/4885ALDH1A1 1852/4885HPGD 354/4885

“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.