SCHEMBL3974583

SCHEMBL3974583

O=C(O)CN1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.43
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL5059158 1.00 HSD17B10 (0.47) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL7039511 1.00 HSD17B10 (0.47) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL6424182 1.00 HSD17B10 (0.47) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL27329590 1.00 HSD17B10 (0.47) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL29299517 0.91 HSD17B10 (0.40) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL18537917 0.91 HSD17B10 (0.40) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL18537936 0.91 HSD17B10 (0.40) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL22821626 0.91 HSD17B10 (0.40) HSD17B10MAPTSLC6A9MEN1LMNA
SCHEMBL15831767 0.91 HSD17B10 (0.40) HSD17B10MAPTMEN1TSHRKMT2A
SCHEMBL18537914 0.91 HSD17B10 (0.40) HSD17B10MAPTSLC6A9MEN1LMNA

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 28 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-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
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
EP-0717639-A4 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD (US) 1998-04-01 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
EP-0717639-A1 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD. (US) 1996-06-26 EP disclosed
US-5409689-A MRI image enhancement using complexes of paramagnetic cations and amine ligands containing a mixture of phosphonate and non-phosphonate pendant arms CONCAT, LTD. (US) 1995-04-25 US disclosed
WO-1995005118-A1 POLYAMINO PARAMAGNETIC CHELATES WHICH CONTAIN BOTH PHOSPHONATE AND NON-PHOSPHONATE MOIETIES FOR MRI CONCAT LTD. (US) 1995-02-23 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 HSD17B10 4338/4885MAPT 3731/4885SLC6A9 2180/4885

“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.