SCHEMBL6989419

SCHEMBL6989419

CCOC(=O)CC(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 4/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 4/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
AGTR1 P30556 1/20 0.46
TNF P01375 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 4/20 0.45
PTGER4 P35408 1/20 0.45
PKM P14618 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL2889646 0.85 TSHR (0.57) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL5925578 0.84 HSD17B2 (0.62) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL275672 0.83 LMNA (0.50) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL742381 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL31314527 0.82 MEN1 (0.70) ALDH1A1KMT2AMEN1KDM4ECYP3A4
SCHEMBL2848397 0.82 MEN1 (0.70) ALDH1A1KMT2AMEN1KDM4ECYP3A4
SCHEMBL12378894 0.81 MEN1 (0.68) ALDH1A1KMT2AMEN1KDM4ECYP3A4
SCHEMBL30930734 0.81 KMT2A (0.52) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL6284647 0.81 LMNA (0.58) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL3606708 0.80 GSK3B (0.51) ALDH1A1KMT2AMEN1LMNARAB9A

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 ALDH1A1 1026/4885KMT2A 2350/4885MEN1 4556/4885

“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.