SCHEMBL5035429

SCHEMBL5035429

Brc1ccc(-c2nsc3cc(OCCN4CCCC4)ccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.73
LTA4H P09960 2/20 0.53
PTGS2 P35354 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
MCHR1 Q99705 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5035478 0.98 LSS (0.73) LSSLTA4HPTGS2ESR1ESR2
SCHEMBL5039805 0.94 LSS (0.78) LSSLTA4HPTGS2ESR1ESR2
SCHEMBL5038468 0.94 LSS (0.83) LSSLTA4HPTGS2ESR1ESR2
SCHEMBL5039853 0.94 LSS (0.76) LSSESR1ESR2ATML3MBTL1
SCHEMBL5038908 0.93 LSS (0.81) LSSESR1ESR2ATML3MBTL1
SCHEMBL5045347 0.92 LSS (0.78) LSSLTA4HPTGS2ESR1ESR2
SCHEMBL5038906 0.91 LSS (0.83) LSSESR1ESR2ATML3MBTL1
SCHEMBL5045444 0.90 LSS (0.89) LSSPDK1PDK2NPC1TSHR
SCHEMBL5043337 0.86 LSS (0.75) LSSHRH3NPC1RAB9A
SCHEMBL5040053 0.85 LSS (0.80) LSSATML3MBTL1RAB9A

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 1/4885LTA4H 555/4885PTGS2 400/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885LTA4H 633/4885PTGS2 406/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885LTA4H 633/4885PTGS2 406/4885

“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.