SCHEMBL4102157

SCHEMBL4102157

O=C(Cc1ccccc1OCc1ccccc1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
POLB P06746 1/20 0.44
AR P10275 1/20 0.44
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
PPIA P62937 1/20 0.37
MAPT P10636 3/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36

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 0.89 CTSB (0.46) CTSBARALDH1A1KMT2AMEN1
SCHEMBL4100363 0.87 ALDH1A1 (0.48) CTSBARGAAALDH1A1KMT2A
SCHEMBL4107519 0.85 AR (0.54) CTSBPOLBARALDH1A1KMT2A
SCHEMBL4111389 0.84 AR (0.45) CTSBARALDH1A1KMT2AMEN1
SCHEMBL4093160 0.83 AR (0.41) ARKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL4099064 0.82 AR (0.50) CTSBARALDH1A1KMT2AMEN1
SCHEMBL4097111 0.82 AR (0.50) CTSBPOLBARALDH1A1KMT2A
SCHEMBL4106009 0.82 CTSB (0.50) CTSBARALDH1A1KMT2AMEN1
SCHEMBL4111571 0.80 AR (0.53) CTSBPOLBARGAAALDH1A1
SCHEMBL4106416 0.79 AR (0.47) CTSBARALDH1A1SMN1; SMN2MAPT

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 4693/4885POLB 3519/4885AR 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.