SCHEMBL9905736

SCHEMBL9905736

CC(C)(C)N/C(=N/C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
MAOB P27338 3/20 0.42
SLC6A5 Q9Y345 1/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 3/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
PTGES O14684 2/20 0.41
PPARG P37231 1/20 0.41
NR4A2 P43354 1/20 0.40
HDAC1 Q13547 1/20 0.40
FFAR1 O14842 1/20 0.40
SMPD1 P17405 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
GPR34 Q9UPC5 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39

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
SCHEMBL9905738 1.00 MRGPRX4 (0.42) MRGPRX4MAPK14SMOMAOBSLC6A5
SCHEMBL9905739 1.00 MRGPRX4 (0.42) MRGPRX4MAPK14SMOMAOBSLC6A5
SCHEMBL9905780 0.92 BCL2L1 (0.43) MRGPRX4MAPK14SMOMAOBPPARA
SCHEMBL9905384 0.92 BCL2L1 (0.43) MRGPRX4MAPK14SMOMAOBPPARA
SCHEMBL9905383 0.92 BCL2L1 (0.43) MRGPRX4MAPK14SMOMAOBPPARA
SCHEMBL17088956 0.91 ERAP1 (0.44) MAPK14SMOMAOBMCL1PTGES
SCHEMBL9920729 0.90 MAPK14 (0.39) MRGPRX4MAPK14SMOMAOBSLC6A5
SCHEMBL18558030 0.88 GRM5 (0.41) MAPK14
SCHEMBL9905766 0.88 PPIA (0.40) MRGPRX4PPARDPPARG
SCHEMBL9905250 0.88 PPIA (0.40) MRGPRX4PPARDPPARG

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-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

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 MRGPRX4 758/4885MAPK14 3352/4885SMO 4770/4885

“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.