SCHEMBL4421777

SCHEMBL4421777

FC(F)(F)c1ccc2c(SCc3ccc(CBr)cc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
RAC1 P63000 3/20 0.41
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
RAC2 P15153 1/20 0.38
RAC3 P60763 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15B O15296 1/20 0.38
PARP1 P09874 1/20 0.37
GAK O14976 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRM4 Q14833 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PLK4 O00444 1/20 0.35
DYRK3 O43781 1/20 0.35

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
SCHEMBL4419754 0.89 DAO (0.39) MAPTRAC1ADRB2NCF1RAC2
SCHEMBL28757760 0.85 RAC1 (0.38) MAPTRAC1ADRB2NCF1RAC2
SCHEMBL4428395 0.84 RAC1 (0.42) MAPTRAC1ADRB2NCF1RAC2
SCHEMBL4159042 0.80 RAC1 (0.51) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL4151251 0.79 RAC1 (0.52) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL27619323 0.78 DAO (0.39) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL4146513 0.78 RAC1 (0.54) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL20678119 0.78 RAC1 (0.54) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL31121075 0.78 RAC1 (0.54) RAC1ADRB2NCF1RAC2RAC3
SCHEMBL4881325 0.78 HDAC3 (0.44) MAPTRAC1RAC2RAC3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 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 (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-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 MAPT 2896/4885RAC1 789/4885ADRB2 4356/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 MAPT 2896/4885RAC1 789/4885ADRB2 4356/4885

“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.