SCHEMBL5212905

SCHEMBL5212905

NC(=O)Nc1cccc(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PPIA P62937 1/20 0.43
PARP1 P09874 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
BRD4 O60885 1/20 0.43
AOC3 Q16853 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 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
SCHEMBL28047621 0.90 CFD (0.52) MAPTGAAGFERITGB3KIF11
SCHEMBL2722098 0.84 MAPT (0.49) MAPTGAAALDH1A1NPSR1
SCHEMBL5211495 0.84 PDK1 (0.55) MAPTGAAGFERALDH1A1NOS3
SCHEMBL10647146 0.84 MAPT (0.47) MAPTGAAGFERALDH1A1NOS3
SCHEMBL2557430 0.84 CFD (0.55) MAPTGAAGFERNOS3NOS1
SCHEMBL7898720 0.82 ITGB3 (0.43) NOS3NOS1NOS2NPSR1PARP1
SCHEMBL5031452 0.82 SIGMAR1 (0.60) MAPTGAAALDH1A1GRIN2DGRIN3B
SCHEMBL13564689 0.82 MAPT (0.46) MAPTGAAGFERALDH1A1NOS3
SCHEMBL11627789 0.82 CSNK2A1 (0.54) MAPTGAAGFERNOS3NOS1
SCHEMBL4505211 0.82 GAA (0.55) MAPTGAAGFERNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed
US-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 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 (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-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR MAPT 2880/4885GAA 572/4885GFER 2309/4885

“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.