SCHEMBL6987618

SCHEMBL6987618

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(CC)c2o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 2/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL6983248 0.91 MAPT (0.51) MAPTNPC1GAARAB9ANOD2
SCHEMBL6979379 0.88 MAPT (0.55) MAPTNPC1GAARAB9AHTT
SCHEMBL4727973 0.86 MAPT (0.53) MAPTNPC1GAARAB9AHTT
SCHEMBL26688263 0.86 MAPT (0.53) MAPTNPC1GAARAB9AHTT
SCHEMBL6985505 0.85 MAPT (0.73) MAPTNPC1GAARAB9AHTT
SCHEMBL4780935 0.80 MAPT (0.45) MAPTNPC1GAARAB9AHTT
SCHEMBL29592689 0.78 POLB (0.52) MAPTNPC1GAARAB9APOLB
SCHEMBL2249264 0.78 POLB (0.52) MAPTNPC1GAARAB9APOLB
Hydrochloric Acid SCHEMBL6983043 0.77 ALDH1A1 (0.43) MAPTNPC1GAARAB9ALMNA
SCHEMBL4796153 0.77 MAPT (0.43) MAPTNPC1GAARAB9AHTT

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 4824/4885NPC1 250/4885GAA 1185/4885

“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.