SCHEMBL9905331

SCHEMBL9905331

O=C(/N=C(/NCc1cc(F)c(F)c(F)c1)Nc1cc(C(F)(F)F)n[nH]1)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
ADORA2A P29274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RHOC P08134 1/20 0.34
RHOA P61586 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GSK3B P49841 1/20 0.34
FABP4 P15090 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL9905335 1.00 HPGD (0.35) HPGDALDH1A1MAPTTP53ADORA2A
SCHEMBL9905169 0.91 NTRK1 (0.36) HPGDALDH1A1MAPTTP53ADORA2A
SCHEMBL9905171 0.91 NTRK1 (0.36) HPGDALDH1A1MAPTTP53ADORA2A
SCHEMBL17088575 0.87 ROCK2 (0.37) HPGDMAPTTP53ROCK2ROCK1
SCHEMBL9921096 0.85 MEN1 (0.48) HPGDALDH1A1MAPTTDP1HDAC3
SCHEMBL9920875 0.82 RAB9A (0.35) HPGDMAPTRHOCRHOAHDAC6
SCHEMBL17088583 0.82 EPHX2 (0.46) ROCK2ROCK1PPARGEPHX2HDAC3
SCHEMBL9920877 0.79 MEN1 (0.36) ALDH1A1MAPTHDAC6RAB9ACYP1A2
SCHEMBL17509141 0.79 MEN1 (0.36) ALDH1A1MAPTHDAC6RAB9ACYP1A2
SCHEMBL9921075 0.79 MAPT (0.34) MAPTTP53LMNA

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-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
EP-2648511-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF Lycera Corporation (US) 2013-10-16 EP disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed
WO-2012078874-A1 PYRAZOLYL 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME HPGD 563/4885ALDH1A1 2132/4885MAPT 3530/4885

“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.