SCHEMBL5139925

SCHEMBL5139925

C[N+](C)([O-])CCCCOc1ccc2c(c1)S(=O)(=O)N=C2c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.56
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RAB9A P51151 1/20 0.31
NOS1 P29475 1/20 0.31
PTPN11 Q06124 1/20 0.30

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
SCHEMBL5140975 0.89 LSS (0.53) LSSMAPTKMT2APOLBDNMT1
SCHEMBL5139973 0.88 LSS (0.53) LSSMAPTKMT2APOLBDNMT1
SCHEMBL5038084 0.85 LSS (0.59) LSSMAPTKMT2AMEN1MAOA
SCHEMBL8485500 0.84 LSS (0.61) LSSMAPTKMT2AMEN1MAOA
SCHEMBL5035549 0.83 LSS (0.58) LSSMAPTKMT2AMEN1LMNA
SCHEMBL5140362 0.83 LSS (0.68) LSSMAPTKMT2A
SCHEMBL5140396 0.82 LSS (0.64) LSSMAPTKMT2A
SCHEMBL5139832 0.81 LSS (0.64) LSSMAPTKMT2AMAOB
SCHEMBL5140663 0.80 LSS (0.60) LSSMAPTKMT2AMAOB
SCHEMBL5140650 0.80 LSS (0.62) LSS

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 1/4885MAPT 4822/4885KMT2A 3719/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885MAPT 4798/4885KMT2A 3752/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885MAPT 4798/4885KMT2A 3752/4885

“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.