SCHEMBL3971428

SCHEMBL3971428

CC(C)(C)N(OCc1ccccc1)C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 8/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PAX8 Q06710 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
RNF4 P78317 1/20 0.40
JAK2 O60674 1/20 0.40
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL5713032 0.83 SMN1; SMN2 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3975397 0.80 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3969308 0.79 EPHX2 (0.49) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL3971721 0.75 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL31361090 0.74 RIPK1 (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL8392840 0.74 EGFR (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL8906002 0.72 MEN1 (0.69) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8421901 0.70 TSHR (0.52) TDP1ALDH1A1SMN1; SMN2POLBL3MBTL1
SCHEMBL4252596 0.70 NPC1 (0.43) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL23944461 0.69 ALDH1A1 (0.55) KMT2ATDP1ALDH1A1SMN1; SMN2PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1261349-A4 COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE CHELATOR LLC (US) 2004-09-01 EP 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-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
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
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
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 (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 NPC1 1637/4885RAB9A 3533/4885KMT2A 3941/4885
US-20050112066-A1 Complexes of cyclic polyaza chelators with cations of alkaline earth metals for enhanced biological activity SLC39A14, CHIA, CA2 NPC1 4657/4885RAB9A 3468/4885KMT2A 607/4885

“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.