SCHEMBL4097652

SCHEMBL4097652

COc1cccc(C(=O)N2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
CTSB P07858 1/20 0.47
AR P10275 1/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
WDR5 P61964 1/20 0.42
ELANE P08246 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
SCHEMBL4093377 0.89 CTSB (0.50) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4104101 0.88 CTSB (0.45) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL4103694 0.87 AR (0.50) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4106563 0.85 AR (0.50) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4103530 0.84 MAPT (0.57) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL4104210 0.84 CTSB (0.51) ALDH1A1KDM4EMAPTMAPK1TDP1
SCHEMBL4101752 0.82 MAPT (0.49) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL4093320 0.82 TSHR (0.46) ALDH1A1MAPTL3MBTL1ARTSHR
SCHEMBL4103176 0.81 AR (0.53) ALDH1A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4098319 0.79 AR (0.53) ALDH1A1KDM4EMAPTMAPK1TDP1

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 ALDH1A1 1615/4885KDM4E 4398/4885MAPT 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.