SCHEMBL3589454

SCHEMBL3589454

O=C(O)CCc1ccc(S(=O)(=O)C2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
PLA2G4A P47712 1/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2C P28335 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL3595997 0.93 HTR2A (0.45) HTR2AKCNH2HTR2CSIGMAR1ACHE
SCHEMBL3597869 0.91 ALDH1A1 (0.35) HTR2AKCNH2HTR2CSIGMAR1ACHE
SCHEMBL3588822 0.90 BCHE (0.36) PLA2G4ASIGMAR1ACHEBCHE
SCHEMBL3599602 0.89 PLA2G4A (0.37) HTR2APLA2G4AKCNH2HTR2C
SCHEMBL3587956 0.89 HTR2A (0.49) HTR2APLA2G4ASIGMAR1ACHE
SCHEMBL3590079 0.88 EPHX2 (0.38) PLA2G4ASIGMAR1ACHEBCHEALOX5
SCHEMBL3592890 0.88 ACHE (0.44) HTR2AHTR2CSIGMAR1ACHEBCHE
SCHEMBL3592888 0.88 ACHE (0.44) HTR2AHTR2CSIGMAR1ACHEBCHE
SCHEMBL3590529 0.87 ALDH1A1 (0.45) PLA2G4A
SCHEMBL3599159 0.87 ACHE (0.37) 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 HTR2A 4301/4885PLA2G4A 2410/4885KCNH2 2033/4885

“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.