SCHEMBL5039624

SCHEMBL5039624

CN(C)CCCOc1ccc2c(-c3ccc(F)cc3)csc2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.55
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX5 P09917 1/20 0.43
CACNA1B Q00975 5/20 0.42
ALDH1A1 P00352 2/20 0.40
CACNA1H O95180 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CXCR1 P25024 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5038898 0.96 LSS (0.59) LSSKDM4ESMN1; SMN2ALOX5CACNA1B
SCHEMBL5038827 0.89 LSS (0.56) LSSKDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL5043221 0.88 LSS (0.56) LSSALDH1A1HRH3MAPTHSD17B10
SCHEMBL7171917 0.88 LSS (0.58) LSSKDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL5043537 0.86 LSS (0.49) LSSKDM4EALDH1A1ADORA2AADORA1
SCHEMBL5038070 0.86 LSS (0.48) LSSKDM4EALDH1A1HRH3MAPT
SCHEMBL5039018 0.86 LSS (0.75) LSS
SCHEMBL5043742 0.85 LSS (0.61) LSSKDM4ESMN1; SMN2HRH3
SCHEMBL7165515 0.85 LSS (0.61) LSSKDM4ESMN1; SMN2ALDH1A1HRH3
SCHEMBL5038302 0.85 LSS (0.74) LSSKDM4EALDH1A1MAPT

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 LSS 1/4885KDM4E 4319/4885SMN1; SMN2 4877/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885KDM4E 4519/4885SMN1; SMN2 4879/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885KDM4E 4519/4885SMN1; SMN2 4879/4885

“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.