SCHEMBL3973280

SCHEMBL3973280

O=C(O)CCN1CCN(CCC(=O)O)CCN(CCC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.67
CYP1A2 P05177 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
ALKBH5 Q6P6C2 1/20 0.44
SUCNR1 Q9BXA5 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
APEX1 P27695 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 3/20 0.41
PAOX Q6QHF9 1/20 0.40
KDM1A O60341 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
ITGB3 P05106 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
SCHEMBL1069692 1.00
SCHEMBL7027263 1.00 GLA (0.67) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6536452 1.00 GLA (0.67) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL9352555 0.97
Ethylene Glycol SCHEMBL673538 0.92 GLA (0.59) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
Propane SCHEMBL1995071 0.92 GLA (0.59) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL30918304 0.92 GLA (0.59) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9058899 0.92 CYP1A2 (0.61) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9131420 0.92 CYP1A2 (0.61) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4350905 0.92 CYP1A2 (0.61) GLACYP1A2MAPK1SMN1; SMN2ALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US claimed
EP-1689384-A4 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2009-05-06 EP disclosed
EP-2011501-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use Chelator LLC (US) 2009-01-07 EP disclosed
EP-1261349-B1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2008-09-03 EP disclosed
EP-1689384-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY Concat LP (US) 2006-08-16 EP disclosed
EP-0955044-B1 Method of inhibiting bacterial or fungal growth using a complexing agent CHELATOR LLC (US) 2005-11-16 EP disclosed
WO-2005053674-A1 COMPLEXES OF CYCLIC POLYAZA CHELATORS WITH CATIONS OF ALKALINE EARTH METALS FOR ENHANCED BIOLOGICAL ACTIVITY CONCAT LP (US) 2005-06-16 WO disclosed
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity CONCAT LP, A CALIFORNIA LIMITED PARTNERSHIP (US) 2005-05-26 US disclosed
US-6881732-B2 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CHELATOR LLC (US) 2005-04-19 US disclosed
EP-1382332-A1 Method for inhibiting bacterial or fungal growth using a polyamine derivative as complexing agent Chelator LLC (US) 2004-01-21 EP disclosed
US-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury CHELATOR LLC 2001-11-15 US disclosed
US-6288224-B1 Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates NYCOMED SALUTAR, INC. 2001-09-11 US disclosed
US-6264966-B1 DEODORANTS; THERAPY FOR ORAL DISEASES CONCAT, LTD. 2001-07-24 US disclosed
US-6165996-A Compounds with chelation affinity selectivity for first transition series elements: use in medical therapy and diagnosis CONCAT, INC. (US) 2000-12-26 US disclosed
US-6048979-A CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES NYCOMED SALUTAR, INC. (US) 2000-04-11 US disclosed
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP disclosed
US-5874573-A Compounds with chelation affinity and selectivity for first transition series elements: use in medical therapy CONCAT, INC. (US) 1999-02-23 US disclosed
EP-0841951-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS, AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT LTD. (US) 1998-05-20 EP disclosed
CN-1181751-A Prepn. of N-arylmethyl axiridine derivatives, 1, 4, 7, 10 -Tetraazacyclododecane derivatives obtained therefrom and N -arylmethyl -ethanol -amine sulphonate esters as intermediates NYCOMED SALUTAR INC (US) 1998-05-13 CN disclosed
WO-1997001360-A2 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS CONCAT, LTD. (US) 1997-01-16 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 (2 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-20010041170-A1 Compounds with chelation affinity and selectivity for first transition series elements and their use in cosmetics and personal care products, inhibition of metalloenzymes, and inhibition of reperfusion injury MPO, LPO, SOD1 GLA 27/4885CYP1A2 2190/4885MAPK1 3131/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 GLA 88/4885CYP1A2 4785/4885MAPK1 4325/4885

“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.