SCHEMBL4101752

SCHEMBL4101752

O=C(c1cccc(C(F)(F)F)c1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 3/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
CTSB P07858 2/20 0.47
AR P10275 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SERPINE1 P05121 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 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
SCHEMBL4110134 0.89 AR (0.50) MAPTLMNAALDH1A1HPGDCTSB
SCHEMBL4104101 0.86 CTSB (0.45) MAPTLMNAALDH1A1HTTCTSB
SCHEMBL4103694 0.85 AR (0.50) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL4106563 0.85 AR (0.50) MAPTALDH1A1HPGDCTSBAR
SCHEMBL4104127 0.84 MEN1 (0.52) MAPTLMNAALDH1A1HTTCTSB
SCHEMBL4097652 0.82 ALDH1A1 (0.50) MAPTLMNAALDH1A1HTTCTSB
SCHEMBL4104210 0.82 CTSB (0.51) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL4107526 0.81 LMNA (0.49) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL4103432 0.81 AR (0.50) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL4109096 0.81 AR (0.50) MAPTLMNAALDH1A1HTTPOLB

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 4566/4885LMNA 2565/4885ALDH1A1 1615/4885

“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.