SCHEMBL6695679

SCHEMBL6695679

FC(F)(F)c1ccccc1CNc1cccc(NCc2ccccc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.51
GAA P10253 2/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
P2RX7 Q99572 1/20 0.46
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
HPGD P15428 1/20 0.45
EGFR P00533 1/20 0.45
NR1H2 P55055 1/20 0.45
IDO1 P14902 2/20 0.44
SCN8A Q9UQD0 1/20 0.43
CYP3A4 P08684 1/20 0.43
CD38 P28907 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43

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
SCHEMBL6647057 0.89 HDAC3 (0.49) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL6692058 0.87 UTS2R (0.51) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL6693419 0.82 PTGS2 (0.47) UTS2R
SCHEMBL6691471 0.80 UTS2R (0.56) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL5545152 0.79 HDAC3 (0.45) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL30301286 0.79 MAPT (0.58) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL4343637 0.79 UTS2R (0.46) UTS2RGAAHDAC3HDAC1HDAC2
SCHEMBL6695173 0.79 MAPT (0.51) UTS2RHDAC6P2RX7MAPTNR1H2
SCHEMBL4604964 0.79 SLC22A12 (0.54) UTS2RGAAMAPTPRKCQPRKCD
SCHEMBL5179218 0.78 EPHX2 (0.52) MAPTABL1SRCHPGDEGFR

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 UTS2R 1908/4885GAA 2948/4885HDAC3 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.