SCHEMBL7080565

SCHEMBL7080565

COC(=O)C(=Cc1cc(Br)c(N)cc1Br)CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD1 P21728 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
PKM P14618 2/20 0.33
SIRT1 Q96EB6 2/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
AAK1 Q2M2I8 1/20 0.30
ALDH1A1 P00352 2/20 0.30
PRNP P04156 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7080563 1.00 MAPT (0.35) MAPTHPGDCYP1A2HTR1AADRA2A
SCHEMBL30655454 0.83 MAPT (0.37) MAPTHPGDPKMRECQLALDH1A1
SCHEMBL6523261 0.82 PRKDC (0.49) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL6523254 0.82 PRKDC (0.49) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL6523258 0.82 PRKDC (0.49) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL7831336 0.78 RECQL (0.35) MAPTHPGDRECQLALDH1A1GAA
SCHEMBL3966403 0.77 MAPT (0.47) MAPTHPGDPKMSIRT1RECQL
SCHEMBL3965977 0.77 MAPT (0.47) MAPTHPGDPKMSIRT1RECQL
SCHEMBL3965975 0.77 MAPT (0.47) MAPTHPGDPKMSIRT1RECQL
SCHEMBL3520847 0.72 MAPT (0.42) MAPTHPGDRECQLALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 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-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS MAPT 197/4885HPGD 3365/4885CYP1A2 1147/4885

“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.