SCHEMBL3975706

SCHEMBL3975706

CN(O)C(=O)CN1CCN(CC(=O)N(C)O)CCN(CC(=O)N(C)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
DRD4 P21917 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
KDM4E B2RXH2 2/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
STAT6 P42226 1/20 0.33

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
SCHEMBL6901782 0.93 ALDH1A1 (0.44) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL31679340 0.91 HSD17B10 (0.45) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL31679390 0.91 HSD17B10 (0.45) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL1377151 0.87 ALDH1A1 (0.40) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL14036400 0.86 SIGMAR1 (0.44) ALDH1A1POLBMEN1KMT2ASIGMAR1
SCHEMBL1376227 0.85 ALDH1A1 (0.39) ALDH1A1DRD4POLBMEN1KMT2A
SCHEMBL8393969 0.83 SIGMAR1 (0.53) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL13180462 0.82 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ASIGMAR1KDM4E
SCHEMBL15043685 0.76 ALDH1A1 (0.59) ALDH1A1DRD4MEN1KMT2ASIGMAR1
SCHEMBL12325467 0.75 ALDH1A1 (0.58) ALDH1A1DRD4MEN1KMT2ASIGMAR1

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
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 US disclosed
US-7270683-B2 A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation KAO CORPORATION (JP) 2007-09-18 US 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
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
US-6583182-B1 Atomic numbers 21-30 are components of enzymes required for nucleic acid replication; substituted polyaza compounds inhibit cell replication by decreaseing bioavailability of iron or copper CHELATOR LLC 2003-06-24 US disclosed
EP-1261349-A1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CONCAT, LTD. (US) 2002-12-04 EP disclosed
US-6469162-B1 SUCH COMPOUNDS INHIBIT MAMMALIAN, BACTERIAL, AND FUNGAL CELL REPLICATION AND ARE USEFUL IN THE TREATMENT OF NEOPLASIA, INFECTION, INFLAMMATION, IMMUNE REPONSE, AND IN TERMINATION OF PREGNANCY CONCAT, LTD. 2002-10-22 US disclosed
WO-2001062262-A1 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CONCAT, LTD. (US) 2001-08-30 WO 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
EP-0955044-A2 Method of inhibiting bacterial or fungal growth using a complexing agent CONCAT LTD. (US) 1999-11-10 EP 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
WO-1997001360-A9 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS 1997-07-17 WO 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 (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-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 ALDH1A1 3314/4885DRD4 4806/4885POLB 351/4885

“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.