Sugi Predict

Sugi Predict / Compounds / SCHEMBL4097895

SCHEMBL4097895

SCHEMBL4097895

O=C(Cc1ccc(Cl)cc1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.50
▸ AR P10275 2/20 0.50
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL4107519 0.91 AR (0.54) CTSBARSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4096064 0.90 AR (0.50) CTSBARLMNASMN1; SMN2ALDH1A1
SCHEMBL4107006 0.90 AR (0.50) CTSBARLMNASMN1; SMN2RAB9A
SCHEMBL4106675 0.87 CTSB (0.47) CTSBARLMNASMN1; SMN2RAB9A
SCHEMBL4092850 0.87 CTSB (0.47) CTSBARSMN1; SMN2ALDH1A1POLB
SCHEMBL4106007 0.87 AR (0.49) CTSBARLMNASMN1; SMN2MAPT
SCHEMBL4103182 0.85 AR (0.46) CTSBARLMNASMN1; SMN2RAB9A
SCHEMBL4097409 0.83 AR (0.47) CTSBARSMN1; SMN2RAB9AALDH1A1
SCHEMBL4101871 0.83 POLB (0.49) CTSBARSMN1; SMN2ALDH1A1POLB
SCHEMBL4102732 0.82 ALDH1A1 (0.47) CTSBARLMNASMN1; SMN2RAB9A

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 CTSB 4693/4885AR 38/4885LMNA 2565/4885

“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.