SCHEMBL4103182

SCHEMBL4103182

CCOc1ccc(CC(=O)N2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.46
CTSB P07858 3/20 0.46
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ROCK1 Q13464 2/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
ROCK2 O75116 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4106675 0.90 CTSB (0.47) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4105617 0.90 MAPT (0.47) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4096064 0.87 AR (0.50) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4107519 0.87 AR (0.54) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4107006 0.85 AR (0.50) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4097895 0.85 CTSB (0.50) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4098473 0.85 CTSB (0.46) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4106007 0.84 AR (0.49) ARCTSBMAPTSMN1; SMN2LMNA
SCHEMBL4092850 0.83 CTSB (0.47) ARCTSBMAPTSMN1; SMN2ALDH1A1
SCHEMBL4103530 0.82 MAPT (0.57) ARCTSBMAPTALDH1A1LMNA

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.