SCHEMBL409358

SCHEMBL409358

O=C(OCc1ccccc1)C(CCCN1C(=O)c2ccccc2C1=O)N1CCNCCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MAOB P27338 2/20 0.39
MAPK1 P28482 1/20 0.39
ACHE P22303 1/20 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
SCHEMBL1672995 1.00 TDP1 (0.41) TDP1L3MBTL1CYP3A4CYP2D6CYP2C9
SCHEMBL8312302 0.84 SLC6A4 (0.46)
SCHEMBL409360 0.83 MAOB (0.41) TDP1CYP3A4CYP2D6DRD2DRD3
SCHEMBL1673004 0.81 MAOB (0.44) L3MBTL1DRD2DRD3MAOB
SCHEMBL409787 0.81 MAOB (0.44) L3MBTL1DRD2DRD3MAOB
SCHEMBL14546658 0.78 MAOB (0.42) L3MBTL1DRD2DRD3MAOB
SCHEMBL6578347 0.78 TDP1 (0.51) TDP1L3MBTL1RAB9AMAOBMAPK1
SCHEMBL408911 0.76 TDP1 (0.49) TDP1L3MBTL1CYP3A4CYP2D6CYP2C9
SCHEMBL4836403 0.76 SLC6A4 (0.43)
SCHEMBL7306627 0.75 ALDH1A1 (0.45) L3MBTL1MAPK1

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-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8986650-B2 Complex folate-NOTA-Ga68 GUERBET (FR) 2015-03-24 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR TDP1 4424/4885L3MBTL1 3039/4885CYP3A4 4470/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR TDP1 4018/4885L3MBTL1 4080/4885CYP3A4 1728/4885

“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.