SCHEMBL5367353

SCHEMBL5367353

C[SiH](C)Oc1c(C(C)(C)C)ccc([N+](=O)[O-])c1Br

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7250879 0.73 NPSR1 (0.42) ALDH1A1TSHRTDP1NPSR1MAPT
SCHEMBL9013384 0.71
SCHEMBL7982437 0.68 MGAM (0.37) ALDH1A1TSHRTDP1NPSR1HTT
SCHEMBL27369615 0.68 ALDH1A1 (0.35) ALDH1A1TSHRTDP1NPSR1MAPT
SCHEMBL28422273 0.67 FEN1 (0.34)
SCHEMBL14141587 0.67 ALDH1A1 (0.41) ALDH1A1TSHRTDP1NPSR1MAPT
SCHEMBL2365232 0.66 CA2 (0.38) ALDH1A1TSHRTDP1
SCHEMBL6921922 0.66 ALDH1A1 (0.30) ALDH1A1TDP1CYP3A4
SCHEMBL22712664 0.65 TDP1 (0.40) ALDH1A1TSHRTDP1NPSR1MAPT
SCHEMBL11559751 0.65 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR FILLA SANDRA A 2007-06-14 US disclosed
US-7230011-B2 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1377580-B1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor FILLA SANDRA ANN (US) 2004-05-27 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 (2 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-20040102481-A1 Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor HTR6, HTR5A, TPH1 ALDH1A1 850/4885TSHR 265/4885TDP1 2751/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 ALDH1A1 1150/4885TSHR 242/4885TDP1 3207/4885

“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.