SCHEMBL4083498

SCHEMBL4083498

O=[N+]([O-])c1cc(N2CCOCC2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.65
PKM P14618 1/20 0.65
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPK1 P28482 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2C9 P11712 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL5058321 0.88 MAPT (0.69) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.86 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2711990 0.83 MAPT (0.77) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL4140342 0.83 MAPT (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL5445416 0.82 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL16943474 0.82 MAPT (0.65) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL31129978 0.82 ALDH1A1 (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL2922033 0.82 MAPT (0.65) MAPTALDH1A1SMN1; SMN2MAPK1CYP2C9
SCHEMBL375310 0.82 ALDH1A1 (0.67) MAPTPKMALDH1A1SMN1; SMN2NPSR1
SCHEMBL29843690 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAPT 1880/4885PKM 3017/4885ALDH1A1 4089/4885

“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.