SCHEMBL6984202

SCHEMBL6984202

CCOC(=O)c1oc2ccc([N+](=O)[O-])cc2c1OCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.52
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PARG Q86W56 1/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
AHR P35869 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL6982924 0.88 HIF1A (0.52) HIF1AMAPTKDM4ENPC1RAB9A
SCHEMBL6983229 0.86 HIF1A (0.55) HIF1AMAPTKDM4ENPC1RAB9A
SCHEMBL6982793 0.83 HIF1A (0.52) HIF1AMAPTKDM4ENPC1RAB9A
SCHEMBL28409651 0.83 HIF1A (0.70) HIF1AMAPTKDM4EPARGAHR
SCHEMBL6981203 0.82 HIF1A (0.57) HIF1AMAPTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL6989380 0.81 KDM4E (0.49) MAPTKDM4ESMN1; SMN2GAAAHR
SCHEMBL27903825 0.81 KDM4E (0.61) HIF1AMAPTKDM4ENPC1RAB9A
SCHEMBL27903827 0.75 MAPT (0.58) HIF1AMAPTNPC1RAB9AELANE
SCHEMBL4253620 0.74 MAOB (0.66) HIF1AMAPTSMN1; SMN2CA12CA9
SCHEMBL28412924 0.73 NPC1 (0.62) MAPTKDM4ENPC1RAB9AELANE

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 HIF1A 2363/4885MAPT 4824/4885KDM4E 1236/4885

“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.