SCHEMBL5847428

SCHEMBL5847428

Cc1cccc(C(F)(F)C(F)(F)Br)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.45
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.33
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDK2 Q15119 2/20 0.32
POLB P06746 1/20 0.31
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31
MPL P40238 1/20 0.30
AR P10275 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL5958756 0.86 CD44 (0.46) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL77056 0.81 CD44 (0.50) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL29512913 0.81 CD44 (0.50) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL5958686 0.81 CD44 (0.42) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL5958716 0.79 CD44 (0.41) CD44GABRA1GABRB2KIF11
SCHEMBL23591999 0.79 CD44 (0.48) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL5958679 0.78 CD44 (0.46) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL30154643 0.74 GABRA1 (0.56) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL1804107 0.74 GABRA1 (0.56) CD44GABRA1GABRB2KIF11CYP3A4
SCHEMBL8223624 0.72 CD44 (0.50) CD44GABRA1GABRB2KIF11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418171-B1 Verfahren zur Herstellung von Perfluoroalkylanilins SALTIGO GMBH (DE) 2011-12-14 EP disclosed
US-7041852-B2 Perfluoroalkylanilines BAYER CHEMICALS AG (DE) 2006-05-09 US disclosed
US-20040152898-A1 Perfluoroalkylanilines LANXESS DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 EP 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-20040152898-A1 Perfluoroalkylanilines PFAS, AFF2, AFF4 CD44 4589/4885GABRA1 1868/4885GABRB2 2287/4885

“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.