SCHEMBL3971687

SCHEMBL3971687

OCC(O)CN1CCCCN(CC(O)CO)CCN(CC(O)CO)CCN(CC(O)CO)CC1

nearest known ligand 0.95

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.95
MAPT P10636 1/20 0.95
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
HSD17B10 Q99714 1/20 0.55
ADRA2A P08913 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
USP2 O75604 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10477 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4382059 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4381896 0.97 ATM (1.00) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL3966681 0.95 ATM (0.86) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL7572154 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL5218128 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4378012 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL4376160 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL64167 0.95 ATM (0.95) ATMMAPTMEN1KMT2AHSD17B10
SCHEMBL7571918 0.92

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 15 patents. 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-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-0955044-B1 Method of inhibiting bacterial or fungal growth using a complexing agent CHELATOR LLC (US) 2005-11-16 EP 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-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements CONCAT, LTD. A CALIFORNIA LIMITED PARTNERSHIP (US) 2004-01-08 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
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
US-6387891-B2 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 CONCAT, LTD. 2002-05-14 US 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-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
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

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 ATM 3772/4885MAPT 3867/4885MEN1 2673/4885
US-20040006055-A1 Neuroprotection and cardioprotection afforded by chelators with high affinity and specificity for cations of first transition series elements SOD1, SLC39A11, SLC40A1 ATM 4818/4885MAPT 2526/4885MEN1 1222/4885

“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.