SCHEMBL4098319

SCHEMBL4098319

O=C(c1ccc(Br)cc1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.53
CTSB P07858 3/20 0.53
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 4/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PAX8 Q06710 1/20 0.41
HPGD P15428 1/20 0.41
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40

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
SCHEMBL4103176 0.89 AR (0.53) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4106563 0.88 AR (0.50) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4109096 0.86 AR (0.50) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4110134 0.86 AR (0.50) ARCTSBMAPTALDH1A1SMN1; SMN2
SCHEMBL4093377 0.86 CTSB (0.50) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4109057 0.86 AR (0.50) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4104210 0.85 CTSB (0.51) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4092254 0.84 AR (0.53) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4107006 0.84 AR (0.50) ARCTSBMAPTALDH1A1MAPK1
SCHEMBL4107722 0.82 ALDH1A1 (0.49) ARCTSBMAPTALDH1A1MAPK1

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 AR 38/4885CTSB 4693/4885MAPT 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.