SCHEMBL6099560

SCHEMBL6099560

Nc1ccc(S(=O)(=O)n2cc(C3=CC(=O)NC3=O)c3cc(Br)ccc32)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.38
DYRK1A Q13627 1/20 0.36
GSK3B P49841 4/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 3/20 0.35
HTR1A P08908 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CAMK2D Q13557 1/20 0.32

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
SCHEMBL6111662 0.86 HTR6 (0.45) HTR6DRD2HTR2AHTR7
SCHEMBL6099557 0.84 KMT2A (0.43) HTR6
SCHEMBL6110763 0.78 HTR6 (0.46) HTR6GSK3BDRD2HTR2AHTR7
SCHEMBL6805163 0.76 HTR6 (0.45) HTR6AKR1C3AKR1C1CYP3A4CYP2D6
SCHEMBL6097509 0.69 GAA (0.46) HTR6HTR2AHTR1A
SCHEMBL6097471 0.69 DYRK1A (0.53) HTR6DYRK1AGSK3BHTR7HTR1A
SCHEMBL6098330 0.68 L3MBTL1 (0.62) HTR6DRD2HTR2AHTR7
SCHEMBL6099550 0.68 HTR6 (0.46) HTR6HTR7HTR1A
SCHEMBL6100350 0.68 CREBBP (0.38) DYRK1AGSK3B
SCHEMBL6097111 0.68 HTR6 (0.47) HTR6GSK3BCYP3A4

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-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 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 (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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF HTR6 765/4885DYRK1A 1708/4885GSK3B 388/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF HTR6 883/4885DYRK1A 1847/4885GSK3B 371/4885

“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.