SCHEMBL6980282

SCHEMBL6980282

CCOC(=O)C=Cc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
PKM P14618 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MAPT P10636 7/20 0.49
TLR9 Q9NR96 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
EGFR P00533 1/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NTSR1 P30989 1/20 0.46

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
SCHEMBL6980279 1.00 FDPS (0.51) FDPSPKMKMT2AMAOBMEN1
SCHEMBL14508736 0.90 TYR (0.54) FDPSPKMKMT2AMAOBMEN1
SCHEMBL12869664 0.90 TYR (0.54) FDPSPKMKMT2AMAOBMEN1
SCHEMBL6981759 0.87 TLR9 (0.53) PKMKMT2AMEN1HSP90AA1HPGD
SCHEMBL6981756 0.87 TLR9 (0.53) PKMKMT2AMEN1HSP90AA1HPGD
SCHEMBL6987302 0.86 KMT2A (0.53) PKMKMT2AMEN1NPC1HSP90AA1
SCHEMBL6987299 0.86 KMT2A (0.53) PKMKMT2AMEN1NPC1HSP90AA1
SCHEMBL20671146 0.85 KMT2A (0.52) PKMKMT2AMEN1NPC1HSP90AA1
SCHEMBL5579243 0.85 TTR (0.53) PKMKMT2AMAOBMEN1NPC1
SCHEMBL6639628 0.85 CYP1A2 (0.53) PKMKMT2AMEN1NPC1HSP90AA1

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 FDPS 296/4885PKM 4172/4885KMT2A 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.