SCHEMBL4091539

SCHEMBL4091539

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
AR P10275 4/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
POLB P06746 1/20 0.39
CTBP2 P56545 1/20 0.39
FABP4 P15090 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
SCHEMBL4093267 0.92 CASP3 (0.46) KCNQ2GAACASP3CASP7SIGMAR1
SCHEMBL4108218 0.91 AR (0.41) ARMEN1KMT2APOLB
SCHEMBL4109948 0.89 NAAA (0.47) AR
SCHEMBL4092784 0.88 RIPK1 (0.45) ARMEN1KMT2A
SCHEMBL4092211 0.87 POLB (0.50) KCNQ2CASP3CASP7ARMAPT
SCHEMBL4099389 0.86 RIPK1 (0.45) AR
SCHEMBL4108230 0.86 AR (0.51) AR
SCHEMBL4098535 0.85 POLB (0.47) KCNQ2CASP3CASP7ARPOLB
SCHEMBL4096622 0.85 AR (0.46) CASP3CASP7SIGMAR1ARSLC22A12
SCHEMBL4093320 0.84 TSHR (0.46) ARMAPTKMT2ASLC22A12

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 6 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

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 KCNQ2 3474/4885GAA 4480/4885CASP3 4697/4885

“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.