Sugi Predict

Sugi Predict / Compounds / SCHEMBL4140342

SCHEMBL4140342

SCHEMBL4140342

O=[N+]([O-])c1cc(N2CCOCC2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 16/20 0.67
▸ PKM P14618 1/20 0.67
▸ ALDH1A1 P00352 6/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ RAC1 P63000 1/20 0.61
▸ MAPK1 P28482 5/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL2589998 0.89 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.87 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2711990 0.84 MAPT (0.77) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL375310 0.83 ALDH1A1 (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL31129978 0.83 ALDH1A1 (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL28931649 0.83 SIRT6 (0.65) MAPTALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL4083498 0.83 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5445416 0.83 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL16943474 0.83 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL29843690 0.83 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 — — US disclosed
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 — — US disclosed
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 — — US disclosed
EP-1973916-A1 PYRROLO Ýl,2-A¨QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF Faust Pharmaceuticals (FR) 2008-10-01 — — EP disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 — — WO disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 — — WO 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-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF ADORA3, ADORA2A, ADORA1 MAPT 4584/4885PKM 1015/4885ALDH1A1 1300/4885

“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.