SCHEMBL403360

SCHEMBL403360

O=[C]CCCCNC(=O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
NAAA Q02083 1/20 0.49
MAPK1 P28482 1/20 0.48
HSP90AA1 P07900 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL408841 0.88 L3MBTL1 (0.57) HDAC3HDAC1HDAC2HDAC8MAPK1
SCHEMBL9124741 0.85 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8811886 0.85 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9123165 0.85 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6682073 0.85 HDAC1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8891036 0.83 HDAC6 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL404438 0.81 CTSB (0.43)
SCHEMBL407772 0.81 LMNA (0.46) HDAC1HDAC2HDAC8HDAC6NAAA
SCHEMBL17294061 0.77 MAPK1 (0.53) HDAC1MAPK1NPC1RAB9A
SCHEMBL10784098 0.75 GAA (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST HDAC3 971/4885HDAC4 3284/4885HDAC1 1528/4885

“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.