SCHEMBL4100513

SCHEMBL4100513

O=[N+]([O-])c1ccc(N2CCCCN2CCOc2cccc(Cl)c2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.46
AR P10275 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HRH3 Q9Y5N1 7/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LTA4H P09960 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL4099720 0.89 CTSB (0.53) CTSBARSMN1; SMN2MAPK1HTT
SCHEMBL4102526 0.83 CTSB (0.49) CTSBARSMN1; SMN2MAPK1LMNA
SCHEMBL4102721 0.80 LMNA (0.46) ARSMN1; SMN2MAPK1LMNAHTT
SCHEMBL4097205 0.79 MAPT (0.50) CTSBARSMN1; SMN2MAPK1LMNA
SCHEMBL4096921 0.78 CTSB (0.48) CTSBARSMN1; SMN2MAPK1LMNA
SCHEMBL4107103 0.78 CTSB (0.52) CTSBARSMN1; SMN2MAPK1LMNA
SCHEMBL4103857 0.78 AR (0.52) CTSBARSMN1; SMN2MAPK1HTT
SCHEMBL4097665 0.77 HRH3 (0.48) CTSBARHTTHRH3MAPT
SCHEMBL4096664 0.77 AR (0.59) CTSBARSMN1; SMN2MAPK1HTT
SCHEMBL4106445 0.76 AR (0.52) CTSBARSMN1; SMN2MAPK1LMNA

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 38/4885SMN1; SMN2 4723/4885

“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.