SCHEMBL4092830

SCHEMBL4092830

CCOc1ccc(CCN2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.47
AR P10275 3/20 0.47
MAPT P10636 6/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
LTA4H P09960 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KCNJ1 P48048 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
SCHEMBL4109023 0.86 CTSB (0.56) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4097833 0.85 CTSB (0.52) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4107103 0.85 CTSB (0.52) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4091520 0.84 AR (0.49) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4102526 0.82 CTSB (0.49) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4097665 0.82 HRH3 (0.48) CTSBARMAPTL3MBTL1HRH3
SCHEMBL4099720 0.81 CTSB (0.53) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4103182 0.81 AR (0.46) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4107105 0.80 CTSB (0.54) CTSBARMAPTMAPK1SMN1; SMN2
SCHEMBL4105465 0.80 CTSB (0.49) CTSBARMAPTMAPK1SMN1; 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.