SCHEMBL5035355

SCHEMBL5035355

Cc1nccc(N(C)CCOc2ccc3c(-c4ccc(C(F)(F)F)cc4)c(C)sc3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 4/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ ATP4A P20648 2/20 0.34
▸ ATP4B P51164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRAF P15056 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ NAPEPLD Q6IQ20 1/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ MAOA P21397 1/20 0.32

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
SCHEMBL5043139 0.88 BRAF (0.35) PPARDPPARACACNA1HCACNA1BATP4A
SCHEMBL5038061 0.83 LSS (0.44) —
SCHEMBL5040113 0.81 PPARD (0.36) PPARDPPARACACNA1BCYP1A2PPARG
SCHEMBL5039979 0.78 PPARD (0.41) PPARDPPARAPPARGMAOA
SCHEMBL5040082 0.77 PPARD (0.38) PPARDPPARACACNA1BPPARG
SCHEMBL7044361 0.77 PPARD (0.40) PPARDPPARAPPARG
SCHEMBL5035534 0.76 PPARD (0.39) PPARDPPARACACNA1BLMNACYP1A2
SCHEMBL5038699 0.76 PPARD (0.37) PPARDPPARAATP4AATP4BPPARG
SCHEMBL5045652 0.75 NOS1 (0.61) ATP4AATP4B
SCHEMBL5040469 0.75 PPARD (0.37) PPARDPPARACACNA1B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 — — US claimed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 — — EP claimed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 — — EP claimed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 — — US claimed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 — — WO claimed
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 PPARD 2148/4885PPARA 2335/4885CACNA1H 2668/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 PPARD 1095/4885PPARA 1074/4885CACNA1H 4093/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 PPARD 1095/4885PPARA 1074/4885CACNA1H 4093/4885

“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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