SCHEMBL4899337

SCHEMBL4899337

CCOC(=O)CNCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
PPID Q08752 2/20 0.41
KIF11 P52732 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPIG Q13427 1/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
IDH1 O75874 1/20 0.39
PPARD Q03181 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL4424810 0.82 PPID (0.56) PPIDNPC1RAB9ASMN1; SMN2PPIB
SCHEMBL3730618 0.78 PPID (0.51) PPIDL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10676797 0.77 PPID (0.42) PPIDL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4901206 0.76 SCN9A (0.44) HDAC2KIF11PPARDHDAC1
SCHEMBL4595998 0.75 HDAC2 (0.50) HDAC2KIF11KCNQ3KCNQ2KCNQ4
SCHEMBL28556385 0.74 CFTR (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL9584221 0.74 MAPT (0.39) HDAC2PPIDNPC1RAB9ASMN1; SMN2
SCHEMBL10682599 0.73 PPID (0.48) PPIDSMN1; SMN2PPIBPPIAPPIG
SCHEMBL9583226 0.73 RAB9A (0.41) PPIDNPC1RAB9ASMN1; SMN2PPIB
SCHEMBL13887110 0.72 L3MBTL1 (0.48) PPIDL3MBTL1NPC1RAB9ASMN1; SMN2

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 HDAC2 1216/4885PPID 2492/4885KIF11 562/4885

“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.