SCHEMBL4097205

SCHEMBL4097205

Cc1ccccc1OCCN1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CTSB P07858 2/20 0.49
AR P10275 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
HTR6 P50406 2/20 0.47
NPSR1 Q6W5P4 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 4/20 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
SCHEMBL4102526 0.86 CTSB (0.49) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4099720 0.85 CTSB (0.53) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4099659 0.82 AR (0.52) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4100513 0.79 CTSB (0.46) MAPTHTTSMN1; SMN2CTSBAR
SCHEMBL4096664 0.79 AR (0.59) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4111579 0.79 AR (0.48) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4092139 0.78 AR (0.50) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4109023 0.77 CTSB (0.56) MAPTALDH1A1HTTSMN1; SMN2CTSB
SCHEMBL4092830 0.76 CTSB (0.47) MAPTALDH1A1SMN1; SMN2CTSBAR
SCHEMBL4097833 0.76 CTSB (0.52) MAPTALDH1A1HTTSMN1; SMN2CTSB

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 4566/4885ALDH1A1 1615/4885HTT 4211/4885

“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.