SCHEMBL675296

SCHEMBL675296

Cc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
PKM P14618 1/20 0.65
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
RAPGEF4 Q8WZA2 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR6 P50406 13/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

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
SCHEMBL2274765 0.83 HTR6 (0.65) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL4446725 0.83 HTT (0.62) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL1977102 0.83 HTT (0.62) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL4452199 0.81 HTT (0.59) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL1357381 0.80 HTT (0.63) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL4862697 0.79 HTT (1.00) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL3972209 0.79 HTR6 (0.70) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL1673252 0.79 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL29414854 0.79 HTR6 (0.75) HTTMEN1KMT2AL3MBTL1PKM
SCHEMBL9270506 0.78 HTT (0.70) HTTMEN1KMT2AL3MBTL1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058245-B2 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-11-15 US disclosed
US-20070197450-A1 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2007-08-23 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-20070197450-A1 Fused heterocycle derivative, medicinal composition containing the same, and medicinal use thereof SLC5A1, SLC5A2, GPR119 HTT 403/4885MEN1 2561/4885KMT2A 779/4885

“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.