SCHEMBL5035485

SCHEMBL5035485

O=C1OCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TDP2 O95551 1/20 0.48
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
TLR9 Q9NR96 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
TYMS P04818 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.43
ADRA2A P08913 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
SCHEMBL3968311 0.88 ALDH1A1 (0.46) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL12236614 0.87 ALDH1A1 (0.51) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL3624177 0.83 KCNJ1 (0.60) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL6829300 0.79 ALDH1A1 (0.53) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL1633977 0.78 ADRA2A (0.46) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL29525659 0.78 ADRA2A (0.46) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL1567844 0.76 PTPRC (0.53) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL31456586 0.75 PTPRC (0.54) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL1527540 0.75 PTPRC (0.54) ALDH1A1TDP2PTPRCS100A4MEN1
SCHEMBL2247008 0.75 PNMT (0.46) ALDH1A1TDP2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US disclosed
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US disclosed
US-7456183-B2 Guanidino compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-25 US disclosed
EP-1767525-A1 Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
EP-1767525-A1 Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists Novartis Vaccines and Diagnostics, Inc. (US) 2007-03-28 EP disclosed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US disclosed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US disclosed
US-7189727-B2 Guanidino compounds CHIRON CORPORATION (US) 2007-03-13 US disclosed
EP-1385823-B1 GUANIDINO COMPOUNDS AS MELANOCORTIN-4 RECEPTOR (MC4-R) AGONISTS CHIRON CORP (US) 2006-12-13 EP disclosed
US-6960582-B2 Guanidino compounds CHIRON CORPORATION (US) 2005-11-01 US disclosed
US-20050038027-A1 Novel guanidino compounds CHIRON CORPORATION 2005-02-17 US disclosed
EP-1385823-A4 NOVEL GUANIDINO COMPOUNDS CHIRON CORP (US) 2005-02-16 EP disclosed
US-20040248895-A1 Novel guanidino compounds CHU DANIEL (US) 2004-12-09 US disclosed
US-6716840-B2 AGONISTS OF THE MELANOCORTIN-4 RECEPTOR (?MC-4R?); USEFUL TREATING OBESITY AND TYPE 2 DIABETES CHIRON CORPORATION 2004-04-06 US disclosed
US-20040024211-A1 Novel guanidino compounds CHIRON CORPORATION 2004-02-05 US disclosed
EP-1385823-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2004-02-04 EP disclosed
US-20020193595-A1 Novel guanidino compounds CHU DANIEL (US) 2002-12-19 US disclosed
WO-2002081443-A1 NOVEL GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2002-10-17 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 (4 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-20050038027-A1 Novel guanidino compounds MC4R, MC3R, GCKR ALDH1A1 4277/4885TDP2 4239/4885PTPRC 4009/4885
US-20040024211-A1 Novel guanidino compounds MC4R, MC5R, MC3R ALDH1A1 3828/4885TDP2 4685/4885PTPRC 2830/4885
US-20020193595-A1 Novel guanidino compounds MC4R, MC5R, MC3R ALDH1A1 3354/4885TDP2 4824/4885PTPRC 2722/4885
US-20040248895-A1 Novel guanidino compounds MC4R, MC5R, MC3R ALDH1A1 2976/4885TDP2 4615/4885PTPRC 2640/4885

“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.