SCHEMBL935494

SCHEMBL935494

O=C(O)CN(CCN(CC(=O)O)Cc1cc(C(=O)O)ccc1O)Cc1cc(C(=O)O)ccc1O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
PTGS2 P35354 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
JAK2 O60674 1/20 0.43
BACE1 P56817 1/20 0.41
KDM5A P29375 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL935118 0.98 POLB (0.49) POLBKDM4ECA2CA12CA1
Hydrochloric Acid SCHEMBL2793537 0.95 POLB (0.50) POLBKDM4ECA2CA12CA1
SCHEMBL13074723 0.82 EGFR (0.46) POLBKDM4ECA2CA12CA1
SCHEMBL28273574 0.81 MEN1 (0.43) POLBKDM4ECA2CA1MAPT
SCHEMBL23629772 0.81 HTT (0.47) POLBKDM4EGAAMAPTL3MBTL1
SCHEMBL935095 0.81 HTT (0.47) POLBKDM4EGAAMAPTL3MBTL1
SCHEMBL545517 0.79 ALOX15 (0.50) POLBKDM4ECA2CA1MAPT
SCHEMBL545256 0.79 HTT (0.48) POLBKDM4EGAAMAPTL3MBTL1
SCHEMBL1314141 0.79 AKR1B1 (0.53) KDM4ECA2CA12CA1MAPT
SCHEMBL23629774 0.79 AKR1B1 (0.53) KDM4ECA2CA12CA1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629293-B2 Process for the preparation of FE(III) chelates of N,N′-DI(2-hydroxybenzyl)-ethylenediamine-N,N′-diacetic acid and its derivatives PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. SP. K. (PL) 2014-01-14 US disclosed
US-20120271062-A9 PROCESS FOR THE PREPARATION OF FE(III) CHELATES OF N,N'-DI(2-HYDROXYBENZYL)-ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. (PL) 2012-10-25 US disclosed
EP-2289869-B1 A process for the preparation of Fe(III) chelates of N,N'-di(2-hydroxybenzyl)-ethylenediamine-N,N'-diacetic acid and its derivatives PRZED PROD CONSULTINGOWE ADOB SP Z O O SP K (PL) 2012-06-13 EP disclosed
US-20120108835-A1 PROCESS FOR THE PREPARATION OF FE(III) CHELATES OF N,N'-DI(2-HYDROXYBENZYL)-ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. SP. K. (PL) 2012-05-03 US disclosed
EP-2289869-A1 A process for the preparation of Fe(III) chelates of N,N'-di(2-hydroxybenzyl)-ethylenediamine-N,N'-diacetic acid and its derivatives Przedsiebiorstwo Produkcyjno-Consultingowe ADOB sp. z o.o. sp. k. (PL) 2011-03-02 EP disclosed
WO-2011006763-A1 A PROCESS FOR THE PREPARATION OF FE(III) CHELATES OF N,N'-DI(2-HYDROXYBENZYL)-ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. SP.K. (PL) 2011-01-20 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-20120108835-A1 PROCESS FOR THE PREPARATION OF FE(III) CHELATES OF N,N'-DI(2-HYDROXYBENZYL)-ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES HAO2, AOC1, HAO1 POLB 1370/4885KDM4E 814/4885CA2 40/4885
US-20120271062-A9 PROCESS FOR THE PREPARATION OF FE(III) CHELATES OF N,N'-DI(2-HYDROXYBENZYL)-ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES HAO2, AOC1, HAO1 POLB 1370/4885KDM4E 814/4885CA2 40/4885

“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.