Sugi Predict

Sugi Predict / Compounds / SCHEMBL4103176

SCHEMBL4103176

SCHEMBL4103176

Cc1ccc(C(=O)N2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.53
▸ CTSB P07858 2/20 0.53
▸ ALDH1A1 P00352 9/20 0.43
▸ MAPT P10636 6/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TNNI3 P19429 1/20 0.40
▸ TNNT2 P45379 1/20 0.40
▸ TNNC1 P63316 1/20 0.40

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
SCHEMBL4098319 0.89 AR (0.53) ARCTSBALDH1A1MAPTSMN1; SMN2
SCHEMBL4093377 0.88 CTSB (0.50) ARCTSBALDH1A1MAPTSMN1; SMN2
SCHEMBL4109096 0.88 AR (0.50) ARCTSBALDH1A1MAPTKMT2A
SCHEMBL4103694 0.88 AR (0.50) ARCTSBALDH1A1MAPTSMN1; SMN2
SCHEMBL4109057 0.86 AR (0.50) ARCTSBALDH1A1MAPTSMN1; SMN2
SCHEMBL4110134 0.86 AR (0.50) ARCTSBALDH1A1MAPTKMT2A
SCHEMBL4104210 0.85 CTSB (0.51) ARCTSBALDH1A1MAPTKMT2A
SCHEMBL4107722 0.84 ALDH1A1 (0.49) ARCTSBALDH1A1MAPTKMT2A
SCHEMBL4096064 0.84 AR (0.50) ARCTSBALDH1A1MAPTSMN1; SMN2
SCHEMBL4106563 0.82 AR (0.50) ARCTSBALDH1A1MAPTKMT2A

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 4693/4885ALDH1A1 1615/4885

“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.