SCHEMBL4099720

SCHEMBL4099720

O=[N+]([O-])c1ccc(N2CCCCN2CCOc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.53
AR P10275 2/20 0.53
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
LTA4H P09960 5/20 0.47
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL4102526 0.92 CTSB (0.49) CTSBARMAPTMAPK1LTA4H
SCHEMBL4100513 0.89 CTSB (0.46) CTSBARMAPTMAPK1LTA4H
SCHEMBL4097205 0.85 MAPT (0.50) CTSBARMAPTMAPK1LTA4H
SCHEMBL4109023 0.83 CTSB (0.56) CTSBARMAPTMAPK1MEN1
SCHEMBL4096664 0.82 AR (0.59) CTSBARMAPTMAPK1MEN1
SCHEMBL4092830 0.81 CTSB (0.47) CTSBARMAPTMAPK1LTA4H
SCHEMBL4107105 0.81 CTSB (0.54) CTSBARMAPTMAPK1MEN1
SCHEMBL4104009 0.80 AR (0.59) CTSBARMAPTMAPK1MEN1
SCHEMBL4111579 0.80 AR (0.48) CTSBARMAPTMAPK1MEN1
SCHEMBL4097665 0.79 HRH3 (0.48) CTSBARMAPTL3MBTL1HTT

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 7 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 claimed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP claimed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO claimed
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 CTSB 4693/4885AR 38/4885MAPT 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.