SCHEMBL4093391

SCHEMBL4093391

O=C(Cc1cccc(Oc2ccccc2)c1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CTSB P07858 2/20 0.45
AR P10275 1/20 0.45
FAAH O00519 2/20 0.45
FFAR1 O14842 2/20 0.41
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BRS3 P32247 4/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FKBP1A P62942 1/20 0.37
CCR8 P51685 1/20 0.37

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
SCHEMBL4103530 0.91 MAPT (0.57) MAPTCTSBARALDH1A1MEN1
SCHEMBL4105617 0.89 MAPT (0.47) MAPTCTSBARFAAHALDH1A1
SCHEMBL4107519 0.88 AR (0.54) MAPTCTSBARALDH1A1MEN1
SCHEMBL4101871 0.86 POLB (0.49) MAPTCTSBARALDH1A1MEN1
SCHEMBL4097409 0.86 AR (0.47) MAPTCTSBARALDH1A1MEN1
SCHEMBL4106007 0.85 AR (0.49) MAPTCTSBARMEN1KMT2A
SCHEMBL4104127 0.83 MEN1 (0.52) MAPTCTSBARALDH1A1MEN1
SCHEMBL4106675 0.82 CTSB (0.47) MAPTCTSBARALDH1A1MEN1
SCHEMBL4102732 0.81 ALDH1A1 (0.47) MAPTCTSBARALDH1A1KMT2A
SCHEMBL4098594 0.81 ALDH1A1 (0.52) MAPTCTSBARALDH1A1MEN1

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 4566/4885CTSB 4693/4885AR 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.