SCHEMBL8914442

SCHEMBL8914442

O=C1CN(C2CCCCC2N2CC(=O)OC(=O)C2)CC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
PPM1B O75688 1/20 0.31
LMNA P02545 1/20 0.31
PPP1CC P36873 1/20 0.31
TFPI2 P48307 1/20 0.31
RAB9A P51151 1/20 0.31
PPP5C P53041 1/20 0.31
PPP1CA P62136 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL8912497 1.00 TSHR (0.35) TSHRALDH1A1KDM4EGMNNPPM1B
SCHEMBL8912493 1.00 TSHR (0.35) TSHRALDH1A1KDM4EGMNNPPM1B
SCHEMBL9152795 1.00 TSHR (0.35) TSHRALDH1A1KDM4EGMNNPPM1B
SCHEMBL13103999 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24062348 0.81 OPRM1 (0.37) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8844934 0.74 SIGMAR1 (0.34)
SCHEMBL23253720 0.74 SIGMAR1 (0.34)
SCHEMBL9846838 0.70 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATDP1
SCHEMBL9846845 0.70 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATDP1
SCHEMBL9846852 0.70 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3262033-B1 ETHYLENEDIAMINETETRAACETIC ACID BIS(AMIDE) DERIVATIVES AND THEIR RESPECTIVE COMPLEXES WITH MN(II) ION FOR USE AS MRI CONTRAST AGENT BRACCO IMAGING SPA (IT) 2020-08-26 EP disclosed
US-10265422-B2 Ethylenediaminetetraacetic acid bis(amide) derivatives and their respective complexes with Mn(II) ion for use as MRI contrast agent BRACCO IMAGING S.P.A. (IT) 2019-04-23 US disclosed
US-20180036436-A1 ETHYLENEDIAMINETETRAACETIC ACID BIS(AMIDE) DERIVATIVES AND THEIR RESPECTIVE COMPLEXES WITH MN(II) ION FOR USE AS MRI CONTRAST AGENT BRACCO IMAGING S.P.A. (IT) 2018-02-08 US disclosed
US-20180036436-A1 ETHYLENEDIAMINETETRAACETIC ACID BIS(AMIDE) DERIVATIVES AND THEIR RESPECTIVE COMPLEXES WITH MN(II) ION FOR USE AS MRI CONTRAST AGENT BRACCO IMAGING S.P.A. (IT) 2018-02-08 US disclosed
WO-2016135523-A1 NEW SUBSTITUTED ETHYLENE-DIAMINE-TETRAACETIC-ACID-BIS(AMIDE) DERIVATIVES AND USE THEREOF AS LIGAND CONTAINING MN (II) OF MRI CONTRAST AGENT DEBRECENI EGYETEM (HU) 2016-09-01 WO disclosed
WO-2016135234-A1 ETHYLENEDIAMINETETRAACETIC ACID BIS(AMIDE) DERIVATIVES AND THEIR RESPECTIVE COMPLEXES WITH MN(II) ION FOR USE AS MRI CONTRAST AGENT DEBRECENI EGYETEM (HU) 2016-09-01 WO disclosed
US-5693310-A Amide complexes SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-02 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-20180036436-A1 ETHYLENEDIAMINETETRAACETIC ACID BIS(AMIDE) DERIVATIVES AND THEIR RESPECTIVE COMPLEXES WITH MN(II) ION FOR USE AS MRI CONTRAST AGENT NAAA, FHIT, NBAS TSHR 3561/4885ALDH1A1 4713/4885KDM4E 2783/4885
US-10265422-B2 Ethylenediaminetetraacetic acid bis(amide) derivatives and their respective complexes with Mn(II) ion for use as MRI contrast agent NAAA, FHIT, NBAS TSHR 3561/4885ALDH1A1 4713/4885KDM4E 2783/4885

“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.