SCHEMBL408841

SCHEMBL408841

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C(=O)NCCCC[C]=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MMP13 P45452 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL403360 0.88 HDAC3 (0.49) POLBLMNANPC1RAB9AHDAC3
SCHEMBL9489979 0.79 L3MBTL1 (0.86) L3MBTL1POLBLMNAKMT2AMEN1
SCHEMBL17294061 0.76 MAPK1 (0.53) L3MBTL1NPC1RAB9AHDAC1MAPK1
SCHEMBL9123165 0.75 HDAC1 (0.66) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9124741 0.75 HDAC1 (0.66) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6682073 0.75 HDAC1 (0.66) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL8811886 0.75 HDAC1 (0.66) POLBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13577911 0.75 L3MBTL1 (0.97) L3MBTL1POLBLMNAKMT2AMEN1
SCHEMBL14679165 0.75 L3MBTL1 (0.73) L3MBTL1POLBLMNAKMT2AMEN1
SCHEMBL14679126 0.75 L3MBTL1 (0.73) L3MBTL1POLBLMNAKMT2AMEN1

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 L3MBTL1 3296/4885POLB 2263/4885LMNA 3824/4885

“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.