SCHEMBL4101871

SCHEMBL4101871

Cc1cccc(CC(=O)N2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CTSB P07858 2/20 0.47
AR P10275 2/20 0.47
AADAT Q8N5Z0 1/20 0.42
MAPT P10636 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNQ2 O43526 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 2/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4096064 0.89 AR (0.50) POLBCTSBARMAPTSMN1; SMN2
SCHEMBL4107519 0.89 AR (0.54) POLBCTSBARMAPTSMN1; SMN2
SCHEMBL4097409 0.88 AR (0.47) CTSBARMAPTSMN1; SMN2MEN1
SCHEMBL4103530 0.88 MAPT (0.57) CTSBARMAPTKCNQ2CASP3
SCHEMBL4105617 0.86 MAPT (0.47) POLBCTSBARMAPTSMN1; SMN2
SCHEMBL4106007 0.86 AR (0.49) CTSBARMAPTSMN1; SMN2CASP3
SCHEMBL4093391 0.86 MAPT (0.46) CTSBARMAPTSMN1; SMN2MEN1
SCHEMBL4104127 0.86 MEN1 (0.52) CTSBARMAPTNPSR1KCNQ2
SCHEMBL4102732 0.84 ALDH1A1 (0.47) CTSBARMAPTSMN1; SMN2NPSR1
SCHEMBL4107006 0.83 AR (0.50) CTSBARMAPTSMN1; SMN2MEN1

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 POLB 3519/4885CTSB 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.