SCHEMBL4679481

SCHEMBL4679481

CCOC(=O)C(C)(C)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1cccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.48
LPAR1 Q92633 5/20 0.42
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 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
SCHEMBL4679484 1.00 FDFT1 (0.48) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8560596 0.87 LPAR1 (0.47) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8566775 0.87 LPAR1 (0.47) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8567301 0.87 LPAR1 (0.47) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13776019 0.81 LPAR1 (0.45) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8557908 0.79 KMT2A (0.45) FDFT1LPAR1KMT2AALDH1A1MAPT
SCHEMBL8557914 0.79 KMT2A (0.45) FDFT1LPAR1KMT2AALDH1A1MAPT
SCHEMBL4118333 0.78 LPAR1 (0.53) LPAR1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8102417 0.78 FDFT1 (0.49) FDFT1LPAR1KMT2AALDH1A1MAPT
SCHEMBL4289888 0.78 PPIA (0.43) FDFT1LPAR1KMT2ASMN1; SMN2ALDH1A1

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
EP-1097928-B1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
US-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
EP-0862562-B1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 EP disclosed
EP-1097928-A1 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics Takeda Chemical Industries, Ltd. (JP) 2001-05-09 EP disclosed
US-6110909-A SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 US disclosed
EP-0862562-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS Takeda Chemical Industries, Ltd. (JP) 1998-09-09 EP disclosed
WO-1997010224-A1 BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-20 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 (2 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-20070117787-A1 Benzoxazepine compounds, their production and use NR1H2, APOB, CETP FDFT1 1208/4885LPAR1 840/4885KMT2A 396/4885
US-20080153801-A1 Benzoxazepine compounds, their production and use CETP, PCSK9, LPL FDFT1 841/4885LPAR1 982/4885KMT2A 1113/4885

“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.