SCHEMBL13824

SCHEMBL13824

Cc1ccc(OC(F)(F)F)cc1OCC(C)CN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.44
HRH4 Q9H3N8 1/20 0.38
ALOX15 P16050 1/20 0.38
GPR3 P46089 2/20 0.35
SCN10A Q9Y5Y9 3/20 0.34
ACHE P22303 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
PDE2A O00408 1/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHR1 P34998 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
SCHEMBL13761 0.86 ALOX15 (0.40) HRH4ALOX15GPR3ACHEPPARG
SCHEMBL13651 0.85 ALOX15 (0.56) ALOX15ACHEMAOBAOC3FFAR1
SCHEMBL17486534 0.84 CRHR1 (0.36) SCN4ASCN10APPARGPPARDPPARA
SCHEMBL14850079 0.84 SCN4A (0.36) SCN4AHRH4GPR3SCN10AMAOB
SCHEMBL13672 0.78 FFAR4 (0.46) GPR3PPARGPPARDPPARAMAOB
SCHEMBL13762 0.78 PPARG (0.40) HRH4GPR3SCN10APPARGPPARD
SCHEMBL13700996 0.77 L3MBTL1 (0.44) GPR3PDE2AFFAR1FFAR4
SCHEMBL14853290 0.77 CYP1A2 (0.37) HRH4GPR3SCN10AMAOBAOC3
SCHEMBL14853146 0.76 SCN10A (0.40) HRH4GPR3SCN10AMAOBAOC3
SCHEMBL13933 0.75 CHRM5 (0.36) HRH4GPR3SCN10APPARGPPARD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SCN4A 4809/4885HRH4 3383/4885ALOX15 88/4885

“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.