SCHEMBL2795115

SCHEMBL2795115

Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CA12 O43570 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ AMY1A P0DUB6 1/20 0.53
▸ TRPA1 O75762 1/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MPO P05164 1/20 0.44

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
Acetic Acid SCHEMBL11587316 0.91 NPSR1 (0.49) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL18754079 0.91 AMY1A (0.49) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL13896556 0.91 AMY1A (0.49) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL24454069 0.89 AMY1A (0.47) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL12995999 0.88 AMY1A (0.46) NPSR1CA12CA2AMY1ATRPA1
Hydrochloric Acid SCHEMBL28917664 0.88 AMY1A (0.46) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL15383498 0.86 AMY1A (0.52) NPSR1CA12CA2AMY1ATRPA1
SCHEMBL21214895 0.86 TERT (0.47) NPSR1CA12CA2AMY1ACA9
SCHEMBL11119500 0.85 CA12 (0.51) NPSR1CA12CA2AMY1ACA9
SCHEMBL13030044 0.82 AMY1A (0.60) NPSR1AMY1ATRPA1MEN1KMT2A

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
EP-3848349-B1 A PROCESS FOR THE PREPARATION OF SALTS OF N,N'-DISUBSTITUTED ETHYLENEDIAMINE-N,N'-DIACETIC ACID DERIVATIVES AND THEIR USE PRZED PRODUKCYJNO CONSULTINGOWE ADOB SP Z O O (PL) 2023-03-15 — — EP disclosed
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-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-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 (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-20100168469-A1 PROCESS FOR THE PREPARATION OF N,N'-BIS(2-HYDROXYBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID AND ITS DERIVATIVES H1-0, HAO2, HBG1 NPSR1 2706/4885CA12 604/4885CA2 191/4885

“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.

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