SCHEMBL935095

SCHEMBL935095

Cc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(C)ccc2O)CC(=O)O)c1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
AMY1A P0DUB6 1/20 0.44
CSNK2A1 P68400 1/20 0.42
POLB P06746 3/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SRC P12931 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
CHRM2 P08172 2/20 0.38
ADRA2A P08913 1/20 0.38
TSHR P16473 1/20 0.38
DRD1 P21728 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
SCHEMBL23629772 1.00 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL545256 0.98 HTT (0.48) HTTAMY1ACSNK2A1POLBMAPT
Hydrochloric Acid SCHEMBL934885 0.97 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL935126 0.97 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
Hydrochloric Acid SCHEMBL2794700 0.95 HTT (0.46) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL3962618 0.94 HTT (0.47) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL16660357 0.91 HTT (0.52) HTTAMY1ACSNK2A1MAPTGAA
SCHEMBL23425468 0.89 POLB (0.42) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL22693634 0.88 HTT (0.41) HTTAMY1ACSNK2A1POLBMAPT
SCHEMBL5268211 0.88 SRC (0.43) HTTCSNK2A1POLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039679-B1 A process for the preparation of N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid and its derivatives PRZED PROD CONSULTINGOWE ADOB SP Z O O SP K (PL) 2015-08-12 EP disclosed
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-8431734-B2 Process for the preparation of N,N′-bis(2-hydroxybenzyl)ethylenediamine-N,N′-diacetic acid and its derivatives Przedsiebiorstwo Produkeyjno-Consultingowe Adob SP. Z O.O. SP. K. (PL) 2013-04-30 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
US-20100168469-A1 PROCESS FOR THE PREPARATION OF N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP (PL) 2010-07-01 US disclosed
WO-2009037235-A1 A PROCESS FOR THE PREPARATION OF N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES PRZEDSIEBIORSTWO PRODUKCYJNO-CONSULTINGOWE ADOB SP. Z O.O. SP. K. (PL) 2009-03-26 WO disclosed
EP-2039679-A1 A process for the preparation of N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid and its derivatives Przedsiebiorstwo Produkcyjno-Consultingowe ADOB sp. z o.o. sp. k. (PL) 2009-03-25 EP 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 (3 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 HTT 402/4885AMY1A 3812/4885CSNK2A1 1687/4885
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 HTT 402/4885AMY1A 3812/4885CSNK2A1 1687/4885
US-20100168469-A1 PROCESS FOR THE PREPARATION OF N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES H1-0, HAO2, HBG1 HTT 493/4885AMY1A 2359/4885CSNK2A1 2110/4885

“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.