SCHEMBL5043139

SCHEMBL5043139

Cc1sc2cc(OCCN(C)c3ccncn3)ccc2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.35
▸ PPARD Q03181 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ NOS1 P29475 3/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ NAPEPLD Q6IQ20 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31

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
SCHEMBL5035355 0.88 PPARD (0.36) BRAFPPARDPPARACACNA1HCACNA1B
SCHEMBL5040007 0.83 LSS (0.43) —
SCHEMBL5035524 0.81 F2 (0.37) PPARDPPARA
SCHEMBL5039979 0.78 PPARD (0.41) PPARDPPARA
SCHEMBL7044361 0.77 PPARD (0.40) PPARDPPARA
SCHEMBL5040082 0.77 PPARD (0.38) PPARDPPARACACNA1B
SCHEMBL5045652 0.77 NOS1 (0.61) NOS1ATP4AATP4BTBXAS1
SCHEMBL5035534 0.76 PPARD (0.39) PPARDPPARACACNA1BPIM1
SCHEMBL5038699 0.76 PPARD (0.37) PPARDPPARAATP4AATP4B
SCHEMBL5040469 0.75 PPARD (0.37) PPARDPPARACACNA1BNOS1

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 BRAF 3018/4885PPARD 2148/4885PPARA 2335/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 BRAF 3418/4885PPARD 1095/4885PPARA 1074/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 BRAF 3418/4885PPARD 1095/4885PPARA 1074/4885

“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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