SCHEMBL3590079

SCHEMBL3590079

O=C(O)CCc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.38
PLA2G4A P47712 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
ACHE P22303 2/20 0.36
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL3596514 0.94 OPRK1 (0.39) PLA2G4AACHEFAAHSIGMAR1BCHE
SCHEMBL3592557 0.93 SIGMAR1 (0.40) EPHX2ACHEFAAHSIGMAR1BCHE
SCHEMBL3595332 0.92 LGALS1 (0.35) ACHEFAAHMAOAMAPT
SCHEMBL3598580 0.92 MAPT (0.39) ACHEFAAHSIGMAR1BCHEALOX5
SCHEMBL3598299 0.91 HRH1 (0.39) ACHEFAAHBCHEALOX5MAOA
SCHEMBL3592076 0.91 SIGMAR1 (0.41) ACHEFAAHSIGMAR1BCHEALOX5
SCHEMBL3589423 0.90 MAOA (0.39) ACHEFAAHMAOAMAPTPKM
SCHEMBL3596933 0.90 PTGDR (0.39) ACHESIGMAR1BCHEALOX5MAOA
SCHEMBL3586655 0.89 BCHE (0.38) PLA2G4AACHESIGMAR1BCHEMAPK1
SCHEMBL13282376 0.89 SIGMAR1 (0.39) ACHEFAAHSIGMAR1BCHEALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 EPHX2 1055/4885PLA2G4A 2410/4885FFAR4 56/4885

“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.