SCHEMBL4100363

SCHEMBL4100363

COc1ccccc1CC(=O)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
CTSB P07858 2/20 0.47
AR P10275 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 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
SCHEMBL4098473 0.90 CTSB (0.46) ALDH1A1MAPTLMNACTSBAR
SCHEMBL4111389 0.88 AR (0.45) ALDH1A1MAPTLMNACTSBAR
SCHEMBL4099064 0.87 AR (0.50) ALDH1A1MAPTCTSBARKMT2A
SCHEMBL4102157 0.87 CTSB (0.44) ALDH1A1MAPTLMNACTSBAR
SCHEMBL4102732 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNACTSBAR
SCHEMBL4106009 0.85 CTSB (0.50) ALDH1A1MAPTCTSBARKMT2A
SCHEMBL4097111 0.85 AR (0.50) ALDH1A1MAPTCTSBARKMT2A
SCHEMBL4106675 0.84 CTSB (0.47) ALDH1A1MAPTLMNACTSBAR
SCHEMBL4106416 0.82 AR (0.47) ALDH1A1MAPTCTSBARTDP1
SCHEMBL4107519 0.82 AR (0.54) ALDH1A1MAPTCTSBARKMT2A

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 1615/4885MAPT 4566/4885LMNA 2565/4885

“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.