SCHEMBL4091489

SCHEMBL4091489

O=[N+]([O-])c1ccc(N2CCCCN2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.65
CTSB P07858 3/20 0.65
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL13872949 0.99 AR (0.63) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL3603749 0.79 CTSB (1.00) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL2711827 0.78 CTSB (0.75) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL3598358 0.78 CTSB (0.97) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL6712876 0.77 CTSB (0.76) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL4098580 0.73 AR (0.67) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL29577374 0.72 CTSB (0.75) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL22858551 0.72 CTSB (0.75) ARCTSBMAPTSMN1; SMN2TNNI3
SCHEMBL4091463 0.71 AR (0.63) AR
SCHEMBL3620838 0.71 CTSB (0.76) ARCTSBMAPTSMN1; SMN2TNNI3

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-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 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-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 AR 38/4885CTSB 4693/4885MAPT 4566/4885

“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.