SCHEMBL4156245

SCHEMBL4156245

O=C([CH]CCCSCC(=O)C(F)(F)F)Nc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
MAPT P10636 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 6/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL4156249 0.83 LMNA (0.58) HDAC1HDAC2MAPTNPC1RAB9A
SCHEMBL4607189 0.79 CES1 (0.42) CES1HDAC1HDAC2MAPTRAB9A
SCHEMBL7615520 0.76 MEN1 (0.51) HDAC1HDAC2MAPTNPC1RAB9A
SCHEMBL4606757 0.72 HDAC1 (0.41) CES1HDAC1HDAC2MAPTNPC1
SCHEMBL4159149 0.70 ALDH1A1 (0.52) HDAC1HDAC2MAPTNPC1RAB9A
SCHEMBL5549552 0.68 HDAC1 (0.70) HDAC1HDAC2MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL7450826 0.66 RAB9A (0.60) HDAC1HDAC2MAPTNPC1RAB9A
SCHEMBL9547503 0.66 RAB9A (0.89) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL15309134 0.66 RAB9A (0.59) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL1380888 0.66 FYN (0.62) MAPTNPC1RAB9AALDH1A1KDM4E

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 CES1 1925/4885HDAC1 2/4885HDAC2 7/4885

“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.