SCHEMBL4632273

SCHEMBL4632273

Nc1cc(C(=O)O)cc([N+](=O)[O-])c1N

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CASP6 P55212 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
TPMT P51580 1/20 0.49
MAPK1 P28482 1/20 0.49
HCAR3 P49019 6/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.43

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
SCHEMBL865237 0.90 LMNA (0.65) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL8409695 0.85 CYP3A4 (0.53) LMNACASP6ALDH1A1TSHRMAPK1
SCHEMBL452336 0.84 ALDH1A1 (0.58) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL4634186 0.84 LMNA (0.62) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL3392676 0.83 LMNA (0.87) LMNACASP6ALDH1A1TSHRHCAR3
SCHEMBL2902973 0.82 LMNA (0.60) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL3708951 0.82 LMNA (0.56) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL1759017 0.82 LMNA (0.56) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL1509549 0.82 TSHR (0.60) LMNACASP6ALDH1A1TSHRTPMT
SCHEMBL8841185 0.80 CASP6 (0.62) LMNACASP6ALDH1A1TSHRTPMT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926714-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES Nycomed GmbH (DE) 2008-06-04 EP disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
WO-2007023135-A1 ISOTOPICALLY SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2007-03-01 WO disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
EP-0583324-B1 HAIR-DYEING AGENT HENKEL KGAA (DE) 1994-12-21 EP disclosed
EP-0583324-A1 HAIR-DYEING AGENT. HENKEL KGAA (DE) 1994-02-23 EP disclosed
WO-1992020320-A1 HAIR-DYEING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-11-26 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 LMNA 1062/4885CASP6 2125/4885ALDH1A1 3102/4885

“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.