SCHEMBL4166184

SCHEMBL4166184

Cc1ccc2ccc(Cl)cc2[n+]1CCCCS(=O)(=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.70
ALDH1A1 P00352 6/20 0.64
HPGD P15428 5/20 0.64
GAA P10253 3/20 0.64
MAPT P10636 5/20 0.44
HTT P42858 1/20 0.42
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4166188 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4162722 0.84 KDM4E (0.70) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4158036 0.82 ALDH1A1 (0.92) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4172133 0.80 KDM4E (0.76) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4156549 0.78 KDM4E (0.62) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL7256433 0.78 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8517706 0.73 MAPT (0.77) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4162727 0.71 KDM4E (0.52) KDM4EALDH1A1HPGDGAAMAPT
Iodide SCHEMBL6660743 0.70 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL21523376 0.69 ALDH1A1 (0.65) KDM4EALDH1A1HPGDGAAMAPT

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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES COOPER MICHAEL EDWARD 2009-10-08 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-20090252687-A1 ASYMMETRIC FLUORO-SUBSTITUTED POLYMETHINE DYES FCGR2A, FCGR3B, FCER2 KDM4E 1270/4885ALDH1A1 1730/4885HPGD 3280/4885

“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.