SCHEMBL5043141

SCHEMBL5043141

Oc1ccc2c(-c3ccc(Cl)cc3)nsc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
ESR1 P03372 7/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PDPK1 O15530 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ESR2 Q92731 4/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5039013 0.84 ESR1 (0.48) ESR1PDPK1HSP90AB1ESR2GAA
SCHEMBL3979992 0.84 LSS (0.48) ESR1PDPK1HSP90AB1ESR2MAPT
SCHEMBL5037998 0.80 MAPK1 (0.49) ESR1PDPK1HSP90AB1ESR2MAPK1
SCHEMBL8484255 0.77 LSS (0.46) ESR1PDPK1HSP90AB1ESR2MAPT
SCHEMBL5035336 0.77 LSS (0.48) ALOX15LSS
SCHEMBL28072438 0.76 KDM4E (0.46) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL7150154 0.75 LSS (0.44) MEN1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL5038944 0.75 LSS (0.54) LSS
SCHEMBL5040136 0.74 LSS (0.56) MEN1KMT2ALSS
SCHEMBL5039975 0.72 LSS (0.59) LSS

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 MIF 3647/4885ESR1 2592/4885CA12 1574/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 MIF 3318/4885ESR1 1155/4885CA12 3327/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 MIF 3318/4885ESR1 1155/4885CA12 3327/4885

“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.