SCHEMBL5367354

SCHEMBL5367354

CC(C)(C)[Si](C)(C)Oc1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.46
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.40
PREP P48147 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
MERTK Q12866 1/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSTP1 P09211 1/20 0.35

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
SCHEMBL229029 0.88 CA12 (0.44) AAK1CA12CA1CA9ALDH1A1
SCHEMBL2105999 0.84 MAPT (0.56) CA12CA1CA9ALDH1A1HTT
SCHEMBL16069602 0.84 ATM (0.47) CA12CA1CA9ALDH1A1HTT
SCHEMBL12422253 0.84 MAPK1 (0.47) CA12CA1CA9ALDH1A1HTT
SCHEMBL13654181 0.82 ALDH1A1 (0.44) CA12CA1CA9ALDH1A1HTT
SCHEMBL5235060 0.82 ALDH1A1 (0.46) CA12CA1CA9ALDH1A1PREP
SCHEMBL31601668 0.81 MAPT (0.44) CA12CA1CA9ALDH1A1HTT
SCHEMBL5228156 0.81 TSHR (0.49) CA12CA1CA9ALDH1A1HTT
SCHEMBL21603046 0.81 MAPK1 (0.46) CA12CA1CA9ALDH1A1HTT
SCHEMBL5239876 0.81 CA12 (0.43) CA12CA1CA9ALDH1A1HTT

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 6 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
EP-1377580-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2004-01-07 EP disclosed
WO-2002060871-A2 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR ELI LILLY AND COMPANY (US) 2002-08-08 WO 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 AAK1 1560/4885CA12 4828/4885CA1 2941/4885
US-20070135484-A1 BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR HTR6, HTR5A, HTR7 AAK1 1888/4885CA12 4786/4885CA1 3036/4885

“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.