SCHEMBL4097833

SCHEMBL4097833

O=[N+]([O-])c1ccc(N2CCCCN2CCc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.52
AR P10275 2/20 0.52
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 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
SCHEMBL4109023 0.91 CTSB (0.56) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4107103 0.89 CTSB (0.52) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4091520 0.86 AR (0.49) CTSBARKCNJ1KCNH2MAPT
SCHEMBL4092830 0.85 CTSB (0.47) CTSBARKCNJ1KCNH2MAPT
SCHEMBL4107105 0.84 CTSB (0.54) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4093401 0.84 CTSB (0.46) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4110101 0.83 CTSB (0.50) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4105465 0.82 CTSB (0.49) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4099947 0.82 CTSB (0.49) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4111208 0.82 CTSB (0.46) CTSBARMAPTSMN1; SMN2ALDH1A1

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 38/4885KCNJ1 4310/4885

“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.