SCHEMBL4093267

SCHEMBL4093267

COc1cccc(CCC(=O)N2CCCCN2c2ccc(C#N)c3ccccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
AR P10275 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PARP1 P09874 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KCNQ2 O43526 1/20 0.40
GAA P10253 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
PLA2G4A P47712 1/20 0.39
RAB9A P51151 1/20 0.39
MC4R P32245 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SMYD2 Q9NRG4 1/20 0.38

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
SCHEMBL4091539 0.92 KCNQ2 (0.45) CASP3CASP7ARSIGMAR1KCNQ2
SCHEMBL4097197 0.90 SMN1; SMN2 (0.47) CASP3CASP7ARGAASLC22A12
SCHEMBL4102653 0.86 AR (0.50) AR
SCHEMBL4093124 0.86 AR (0.44) ARKCNQ2
SCHEMBL4109028 0.86 CASP3 (0.44) CASP3CASP7ARKCNQ2
SCHEMBL4109014 0.86 AR (0.44) ARSLC22A12
SCHEMBL4099630 0.84 AR (0.47) AR
SCHEMBL4093320 0.84 TSHR (0.46) ARSLC22A12
SCHEMBL4097179 0.83 MEN1 (0.44) ARKCNQ2GAAMC4R
SCHEMBL4102677 0.83 HRH3 (0.50) ARHRH3SIGMAR1

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 8 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
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 CASP3 4697/4885CASP7 4004/4885AR 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.