SCHEMBL5035456

SCHEMBL5035456

O=S1(=O)N=C(c2ccc(Br)cc2)c2ccc(OCCCN3CCC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.52
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR3A P46098 4/20 0.45
HRH3 Q9Y5N1 8/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
LTA4H P09960 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5038939 0.97 LSS (0.54) LSSATML3MBTL1HTR3AHRH3
SCHEMBL5040046 0.87 HRH3 (0.51) HRH3MEN1KMT2A
SCHEMBL5039980 0.84 HRH3 (0.54) HRH3MEN1KMT2A
SCHEMBL5045359 0.84 TLR9 (0.48) LSSHTR3AHRH3MAOBSLC6A2
SCHEMBL5040208 0.84 HRH3 (0.56) HRH3MEN1KMT2A
SCHEMBL5035549 0.83 LSS (0.58) LSSKDM4EMEN1KMT2AMAOB
SCHEMBL5038084 0.82 LSS (0.59) LSSKDM4EMEN1KMT2AMAOB
SCHEMBL8485500 0.81 LSS (0.61) LSSKDM4EMEN1KMT2AMAOB
SCHEMBL5038802 0.81 TLR9 (0.50) HTR3AHRH3MAOBSLC6A2SLC6A4
SCHEMBL5140071 0.81 LSS (0.56) LSSATML3MBTL1HTR3AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 LSS 1/4885ATM 2018/4885L3MBTL1 1608/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ATM 1483/4885L3MBTL1 2178/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885ATM 1483/4885L3MBTL1 2178/4885

“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.