SCHEMBL18558387

SCHEMBL18558387

CC(C)(C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cc(-c2cccc(Cl)c2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.40
ALPL P05186 1/20 0.40
HTT P42858 1/20 0.40
HDAC6 Q9UBN7 1/20 0.38
CNR2 P34972 2/20 0.38
GRM5 P41594 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ABL1 P00519 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL18558388 0.93 MAPT (0.39) RAF1BCHEACHEMAPTALPL
SCHEMBL18558154 0.93 GRM5 (0.42) RAF1BCHEACHEALPLHDAC6
SCHEMBL18558394 0.91 RAF1 (0.39) RAF1BCHEACHEALPLHDAC6
SCHEMBL18558269 0.91 MAPT (0.45) BCHEACHEMAPTALPLHDAC6
SCHEMBL18558156 0.90 MAPT (0.36) RAF1BCHEACHEMAPTALPL
SCHEMBL18558380 0.90 NPC1 (0.42) RAF1BCHEACHEMAPTALPL
SCHEMBL18557825 0.89 ALPL (0.38) RAF1BCHEACHEALPLHTT
SCHEMBL18558126 0.88 RAB9A (0.38) RAF1BCHEACHEMAPTALPL
SCHEMBL18558596 0.87 RAF1 (0.42) RAF1MAPTHTTGRM5
SCHEMBL18558615 0.86 ALPL (0.38) RAF1BCHEACHEMAPTALPL

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 3 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
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US 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 RAF1 420/4885BCHE 3458/4885ACHE 2140/4885

“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.