SCHEMBL6982170

SCHEMBL6982170

CCOC(=O)CC(O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 1/20 0.49
GLO1 Q04760 1/20 0.48
FFAR1 O14842 1/20 0.47
LMNA P02545 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RECQL P46063 1/20 0.45
CACNA1F O60840 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CACNA1D Q01668 1/20 0.45

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
SCHEMBL5829506 0.84 MAPT (0.56) MAPTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL11669933 0.83 MAPT (0.51) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1205553 0.82 GLO1 (0.49) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL2111020 0.81 KMT2A (0.65) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL7430588 0.81 NPC1 (0.52) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL6977371 0.80 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL3815135 0.80 GLO1 (0.50) MAPTALDH1A1KMT2AMEN1GLO1
SCHEMBL7709511 0.80 GLO1 (0.50) MAPTALDH1A1KMT2AMEN1GLO1
SCHEMBL29867329 0.80 ALDH1A1 (0.60) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL1205584 0.79 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1HTT

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 MAPT 4824/4885ALDH1A1 1026/4885KMT2A 2350/4885

“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.