SCHEMBL4093377

SCHEMBL4093377

COc1ccc(C(=O)N2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.50
AR P10275 1/20 0.50
MAPT P10636 9/20 0.48
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSP90AA1 P07900 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
HTT P42858 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
SCHEMBL4097652 0.89 ALDH1A1 (0.50) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4103176 0.88 AR (0.53) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4107722 0.87 ALDH1A1 (0.49) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4098319 0.86 AR (0.53) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4109096 0.85 AR (0.50) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4106675 0.85 CTSB (0.47) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4104210 0.84 CTSB (0.51) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4109057 0.83 AR (0.50) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4110134 0.83 AR (0.50) CTSBARMAPTALDH1A1SMN1; SMN2
SCHEMBL4103694 0.81 AR (0.50) CTSBARMAPTALDH1A1SMN1; SMN2

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.