SCHEMBL3596933

SCHEMBL3596933

O=C(O)CCc1ccccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.39
SIGMAR1 Q99720 4/20 0.36
ACHE P22303 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 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HRH1 P35367 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
SCHEMBL3595245 0.92 SIGMAR1 (0.33) PTGDRSIGMAR1ACHEBCHEALOX5
SCHEMBL3590079 0.90 EPHX2 (0.38) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL3596514 0.89 OPRK1 (0.39) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL13254351 0.89 ACHE (0.37) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL3586655 0.89 BCHE (0.38) SIGMAR1ACHEBCHEMAPK1
SCHEMBL3598423 0.89 MAPK1 (0.37) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL3587731 0.89 MAPK1 (0.39) SIGMAR1ACHEBCHEALOX5MAOA
SCHEMBL3587922 0.88 MAPK1 (0.37) SIGMAR1ACHEBCHEMAPK1
SCHEMBL3587915 0.88 MAPK1 (0.41) SIGMAR1MAPTPKMMAPK1RAB9A
SCHEMBL4717091 0.88 ACHE (0.35) SIGMAR1ACHEBCHEALOX5MAOA

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
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 PTGDR 1045/4885SIGMAR1 588/4885ACHE 3194/4885

“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.