SCHEMBL4159042

SCHEMBL4159042

FC(F)(F)c1ccc2c(SCCCBr)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.51
RAC2 P15153 1/20 0.47
RAC3 P60763 1/20 0.47
ADRB2 P07550 1/20 0.41
NCF1 P14598 1/20 0.41
PARP1 P09874 1/20 0.39
GAK O14976 1/20 0.38
PRNP P04156 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GRM4 Q14833 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
CLK4 Q9HAZ1 3/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
KDR P35968 2/20 0.37
AURKB Q96GD4 2/20 0.37
PRKD2 Q9BZL6 2/20 0.37

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
SCHEMBL4151251 0.96 RAC1 (0.52) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL20678119 0.95 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL31121075 0.95 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL4146513 0.95 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL4591807 0.86 RAC1 (0.52) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25405582 0.85 RAC1 (0.44) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25405588 0.85 RAC1 (0.44) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25402058 0.85 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL20678041 0.85 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1
SCHEMBL25405308 0.85 RAC1 (0.54) RAC1RAC2RAC3ADRB2NCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 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-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders APP, BACE1, IAPP RAC1 107/4885RAC2 368/4885RAC3 418/4885

“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.