SCHEMBL4595998

SCHEMBL4595998

CCOC(=O)CCNc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 6/20 0.50
HDAC1 Q13547 6/20 0.44
HDAC3 O15379 2/20 0.44
KCNQ2 O43526 3/20 0.41
KCNQ3 O43525 2/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
MGLL Q99685 1/20 0.41
KIF11 P52732 4/20 0.40
GSK3B P49841 1/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4594932 0.83 MAPT (0.50) MGLLKDM4EMAPT
SCHEMBL20529712 0.77 MAPT (0.44) HDAC1KDM4EMAPTNPSR1
SCHEMBL18638566 0.76 HDAC2 (0.50) HDAC2HDAC1HDAC3KIF11GSK3B
SCHEMBL4899337 0.75 HDAC2 (0.42) HDAC2HDAC1KCNQ2KCNQ3KCNQ4
SCHEMBL2309636 0.74 TOP2A (0.43) KDM4EMAPT
SCHEMBL2313211 0.74 PTGER4 (0.47) HDAC1KDM4EMAPT
SCHEMBL28450779 0.73 TOP2A (0.53) HDAC2HDAC1HDAC3KDM4EMAPT
SCHEMBL8609704 0.73 MAPT (0.62) KDM4EMAPT
SCHEMBL26665186 0.72 MAPT (0.53) HDAC2HDAC1HDAC3KCNQ2KCNQ3
SCHEMBL14955457 0.72 TRPV4 (0.55) MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 HDAC2 1216/4885HDAC1 201/4885HDAC3 682/4885

“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.