SCHEMBL9905358

SCHEMBL9905358

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.48
ACR P10323 3/20 0.41
P2RY14 Q15391 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALPL P05186 2/20 0.36
CA12 O43570 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
DEGS1 O15121 1/20 0.35
HDAC1 Q13547 1/20 0.35
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL9905362 1.00 SNCA (0.48) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558123 0.92 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558333 0.92 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL18558030 0.91 GRM5 (0.41) SNCAACRP2RY14KDM4EMAPT
SCHEMBL18558516 0.90 HDAC3 (0.39) SNCAACRHDAC6ALPLCA12
SCHEMBL18558124 0.90 ALPL (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL9905271 0.90 SNCA (0.41) SNCAACRHDAC6KDM4EMAPT
SCHEMBL9905267 0.90 SNCA (0.41) SNCAACRHDAC6KDM4EMAPT
SCHEMBL17089717 0.90 SNCA (0.41) SNCAACRP2RY14ADORA3HDAC6
SCHEMBL17088959 0.89 SNCA (0.44) SNCAACRHDAC6ALPLCA12

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 SNCA 4134/4885ACR 3000/4885P2RY14 275/4885

“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.