SCHEMBL5045366

SCHEMBL5045366

Fc1ccc(-c2csc3cc(OCCCCN4CCCC4)ccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HRH3 Q9Y5N1 11/20 0.57
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ESR1 P03372 3/20 0.48
▸ ESR2 Q92731 3/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ LTA4H P09960 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
SCHEMBL5045469 0.98 MEN1 (0.55) MEN1LMNAHTTKMT2AHRH3
SCHEMBL5045772 0.97 MEN1 (0.53) MEN1LMNAHTTKMT2AHRH3
SCHEMBL5038954 0.94 MEN1 (0.50) MEN1LMNAHTTKMT2AHRH3
SCHEMBL5043347 0.89 ATM (0.58) HRH3ESR1ESR2KCNH2HRH4
Hydrochloric Acid SCHEMBL5035313 0.88 ATM (0.57) HRH3ESR1ESR2KCNH2HRH4
SCHEMBL5043258 0.87 LSS (0.56) HRH3ESR1ESR2KCNH2HRH4
Hydrochloric Acid SCHEMBL5045424 0.86 LSS (0.56) HRH3ESR1ESR2KCNH2HRH4
SCHEMBL5045728 0.82 LSS (0.52) MEN1KMT2AALDH1A1
SCHEMBL5038373 0.80 LSS (0.50) ALDH1A1
SCHEMBL5038615 0.80 LSS (0.68) HTTALDH1A1

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 MEN1 1601/4885LMNA 3892/4885HTT 4270/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 MEN1 1994/4885LMNA 4234/4885HTT 3140/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 MEN1 1994/4885LMNA 4234/4885HTT 3140/4885

“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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