SCHEMBL6984490

SCHEMBL6984490

COC(=O)C(Oc1ccc([N+](=O)[O-])cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 2/20 0.50
HTR2A P28223 1/20 0.47
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MYOC Q99972 1/20 0.44
PTGS2 P35354 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL27716592 0.82 MEN1 (0.49) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL829972 0.81 KMT2A (0.64) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL12483563 0.78 LMNA (0.59) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL15516165 0.77 MAPT (0.59) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL11468330 0.75 MEN1 (0.64) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL13172626 0.75 NPC1 (0.50) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL12465670 0.74 MAPK1 (0.54) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL84030 0.74 GAA (0.62) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL13684912 0.73 CA12 (0.50) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL8949976 0.72 MAPT (0.54) MEN1KMT2ALMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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 (1 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-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MEN1 4556/4885KMT2A 2350/4885LMNA 2609/4885

“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.