SCHEMBL7108298

SCHEMBL7108298

O=C(O)CN1CCN(CC(=O)O)CCN(C(=O)NCc2ccccc2)CCN(CC(=O)O)CC1.[Gd]

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.72
▸ HRH3 Q9Y5N1 1/20 0.59
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ TPSAB1 Q15661 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ USP2 O75604 1/20 0.52
▸ HTR1A P08908 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CACNA1G O43497 1/20 0.51
▸ CACNA1H O95180 1/20 0.51
▸ CACNA1I Q9P0X4 1/20 0.51

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
SCHEMBL7108356 0.98 KDM4E (0.74) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7108302 0.86 KDM4E (0.68) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL14190802 0.85 KDM4E (0.76) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7530265 0.84 KDM4E (0.74) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL7107818 0.83 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL4197501 0.81 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL5800630 0.81 KDM4E (0.69) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL25356954 0.80 KDM4E (0.51) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL26008244 0.80 KDM4E (0.51) KDM4EHRH3MEN1KMT2ANPSR1
SCHEMBL26009757 0.80 KDM4E (0.51) KDM4EHRH3MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030170173-A1 Contrast agents GE HEALTHCARE AS (NO) 2003-09-11 — — US disclosed
EP-1283728-A2 CONTRAST AGENTS Amersham Health AS (NO) 2003-02-19 — — EP disclosed
WO-2001089584-A2 CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2001-11-29 — — 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 (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-20030170173-A1 Contrast agents GBA1, RNASE1, MAN2B1 KDM4E 4578/4885HRH3 2413/4885MEN1 151/4885

“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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