SCHEMBL4597944

SCHEMBL4597944

O=[N+]([O-])c1ccc(Oc2ccc(CBr)cn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HSPB1 P04792 3/20 0.59
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
RAB9A P51151 3/20 0.53
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNH2 Q12809 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL3133376 0.86 GAA (0.62) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL20932230 0.83 HSPB1 (0.82) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL11245076 0.81 HSPB1 (0.59) HSPB1MAPTNPSR1RAB9ALMNA
SCHEMBL3139649 0.80 GAA (0.70) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL842282 0.80 L3MBTL1 (0.70) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3143148 0.80 L3MBTL1 (0.70) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3133545 0.79 GAA (0.55) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL7807343 0.79 L3MBTL1 (0.68) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL4598527 0.78 ALDH1A1 (0.64) GAAL3MBTL1HSPB1MAPTNPSR1
SCHEMBL3967877 0.78 GAA (0.67) GAAL3MBTL1HSPB1MAPTNPSR1

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 GAA 4340/4885L3MBTL1 3305/4885HSPB1 2490/4885

“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.