SCHEMBL5045365

SCHEMBL5045365

Cc1sc2cc(OCCCCN3CCCCC3)ccc2c1-c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ LSS P48449 2/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ HRH3 Q9Y5N1 7/20 0.50
▸ KCNH2 Q12809 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5039047 0.97 LSS (0.53) ATML3MBTL1LSSESR1ESR2
SCHEMBL5046003 0.87 ESR1 (0.51) ESR1ESR2HRH3KCNH2
SCHEMBL5040359 0.82 LSS (0.44) LSS
SCHEMBL5038195 0.82 LSS (0.41) LSS
SCHEMBL5043263 0.80 LSS (0.40) L3MBTL1LSSKDM4E
SCHEMBL5040452 0.80 LSS (0.48) LSSKDM4E
SCHEMBL5040247 0.79 NOS1 (0.60) KDM4E
SCHEMBL5038908 0.78 LSS (0.81) ATML3MBTL1LSSESR1ESR2
SCHEMBL5040357 0.78 LSS (0.57) LSS
SCHEMBL5043347 0.78 ATM (0.58) ATML3MBTL1LSSESR1ESR2

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 9 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
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 — — EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 — — US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 — — 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 (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 ATM 2018/4885L3MBTL1 1608/4885LSS 1/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ATM 1483/4885L3MBTL1 2178/4885LSS 1/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ATM 1483/4885L3MBTL1 2178/4885LSS 1/4885

“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.

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