SCHEMBL3587529

SCHEMBL3587529

COc1cc(C(=O)O)ccc1CC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.43
LTB4R Q15722 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.39
KCNJ1 P48048 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3583330 0.93 MEN1 (0.37) PLA2G4ALTB4RCYSLTR2CYSLTR1MEN1
SCHEMBL3587526 0.89 CCR5 (0.39) PLA2G4ALTB4RCYSLTR2CYSLTR1MEN1
SCHEMBL3596120 0.89 MEN1 (0.45) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL3597678 0.88 PLA2G4A (0.37) PLA2G4ALTB4RCYSLTR2CYSLTR1MEN1
SCHEMBL3591945 0.87 CCR5 (0.38) PLA2G4ALTB4RACHELMNA
SCHEMBL3600226 0.86 MEN1 (0.50) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL3594694 0.86 PLA2G4A (0.41) PLA2G4ALTB4RCYSLTR2CYSLTR1MEN1
SCHEMBL3599652 0.85 MEN1 (0.38) MEN1KMT2AACHELMNASMN1; SMN2
SCHEMBL3591661 0.85 MEN1 (0.41) MEN1KMT2AACHEKCNJ1LMNA
SCHEMBL3586234 0.84 ACHE (0.43) MEN1KMT2AACHE

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 PLA2G4A 2410/4885LTB4R 218/4885CYSLTR2 917/4885

“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.