SCHEMBL408911

SCHEMBL408911

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 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
SCHEMBL6578347 0.87 TDP1 (0.51) TDP1L3MBTL1MAPK1SMN1; SMN2RAB9A
SCHEMBL6954199 0.82 HDAC7 (0.52) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL3359985 0.82 HDAC7 (0.52) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL7898753 0.82 HDAC7 (0.52) TDP1L3MBTL1SMN1; SMN2RAB9AMAPT
SCHEMBL7215474 0.81 CASP3 (0.50) TDP1L3MBTL1MAPK1SMN1; SMN2RAB9A
SCHEMBL8527564 0.81 HDAC1 (0.49) TDP1MAPTTSHRALDH1A1LMNA
SCHEMBL7292349 0.80 HDAC1 (0.48) TDP1L3MBTL1SMN1; SMN2MAPTTSHR
SCHEMBL442293 0.80 MMP2 (0.44) SMN1; SMN2RAB9AMAPTTSHRALDH1A1
SCHEMBL7289974 0.80 HDAC1 (0.48) TDP1L3MBTL1SMN1; SMN2MAPTTSHR
SCHEMBL7289359 0.80 HDAC1 (0.48) TDP1L3MBTL1SMN1; SMN2MAPTTSHR

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 22 patents — showing the first 20. 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-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
EP-1796738-B1 BICYCLAM CONJUGATE FOR MRI AND SCINTIGRAPHY OF DISEASES ASSOCIATED WITH THE CXCR4 RECEPTOR GUERBET SA (FR) 2013-08-07 EP disclosed
US-8367039-B2 Compounds for the diagnosis of diseases associated with VCAM expression GUERBET (FR) 2013-02-05 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
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-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS GUERBET (FR) 2010-06-10 US disclosed
US-20090202435-A1 Diagnostic compounds for targeting a chemokine receptors GUERBET (FR) 2009-08-13 US disclosed
EP-1796738-A2 DIAGNOSTIC COMPOUNDS FOR TARGETING A CHEMOKINE RECEPTOR GUERBET (FR) 2007-06-20 EP disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 US disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 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
WO-2006032704-A2 DIAGNOSTIC COMPOUNDS FOR TARGETING A CHEMOKINE RECEPTOR GUERBET (FR) 2006-03-30 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 (5 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 3039/4885MAPK1 2617/4885
US-20100143250-A1 COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS TPX2, VIP, BAX TDP1 2101/4885L3MBTL1 103/4885MAPK1 404/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR TDP1 4018/4885L3MBTL1 4080/4885MAPK1 4131/4885
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates MGAT2, MGAT1, MGAT3 TDP1 3012/4885L3MBTL1 452/4885MAPK1 2817/4885
US-20090202435-A1 Diagnostic compounds for targeting a chemokine receptors CCL2, ACKR3, CCR5 TDP1 4553/4885L3MBTL1 4179/4885MAPK1 2632/4885

“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.