SCHEMBL4103530

SCHEMBL4103530

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
CTSB P07858 1/20 0.45
AR P10275 1/20 0.45
KCNQ2 O43526 1/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4105617 0.91 MAPT (0.47) MAPTCTSBARALDH1A1LMNA
SCHEMBL4093391 0.91 MAPT (0.46) MAPTCTSBARGAAALDH1A1
SCHEMBL4106675 0.90 CTSB (0.47) MAPTCTSBARKCNQ2CASP3
SCHEMBL4101871 0.88 POLB (0.49) MAPTCTSBARKCNQ2GAA
SCHEMBL4102732 0.87 ALDH1A1 (0.47) MAPTCTSBARGAAALDH1A1
SCHEMBL4107519 0.86 AR (0.54) MAPTCTSBARALDH1A1MAPK1
SCHEMBL4097409 0.86 AR (0.47) MAPTCTSBARGAAALDH1A1
SCHEMBL4106007 0.85 AR (0.49) MAPTCTSBARCASP3CASP7
SCHEMBL4097652 0.84 ALDH1A1 (0.50) MAPTCTSBARGAAALDH1A1
SCHEMBL4104127 0.83 MEN1 (0.52) MAPTCTSBARKCNQ2ALDH1A1

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 MAPT 4566/4885CTSB 4693/4885AR 38/4885

“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.