SCHEMBL3592890

SCHEMBL3592890

O=C(O)C=Cc1ccc(S(=O)(=O)C2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.44
BCHE P06276 5/20 0.44
HTR2A P28223 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 1/20 0.36
BACE1 P56817 2/20 0.36
ALOX5 P09917 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
DRD2 P14416 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
SCHEMBL3592888 1.00 ACHE (0.44) ACHEBCHEHTR2AL3MBTL1MAOA
SCHEMBL13282453 0.92 ACHE (0.40) ACHEBCHEHTR2AL3MBTL1MAOA
SCHEMBL13254207 0.92 ACHE (0.40) ACHEBCHEHTR2AL3MBTL1MAOA
SCHEMBL3595997 0.91 HTR2A (0.45) ACHEBCHEHTR2AMAOAALOX5
SCHEMBL3596271 0.90 ACHE (0.38) ACHEBCHEMAOAMAOB
SCHEMBL3596275 0.90 ACHE (0.38) ACHEBCHEMAOAMAOB
SCHEMBL3589454 0.88 HTR2A (0.38) ACHEBCHEHTR2AMAOABACE1
SCHEMBL3591777 0.86 L3MBTL1 (0.43) ACHEBCHEL3MBTL1SIGMAR1
SCHEMBL3591781 0.86 L3MBTL1 (0.43) ACHEBCHEL3MBTL1SIGMAR1
SCHEMBL3599159 0.85 ACHE (0.37) ACHEBCHEMAOAALOX5SIGMAR1

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 ACHE 3194/4885BCHE 3002/4885HTR2A 4301/4885

“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.