SCHEMBL6982793

SCHEMBL6982793

CCOC(=O)c1oc2ccc([N+](=O)[O-])cc2c1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.52
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARG Q86W56 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.42
AHR P35869 1/20 0.42
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6983229 0.87 HIF1A (0.55) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6982924 0.84 HIF1A (0.52) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28409651 0.83 HIF1A (0.70) HIF1AMAPTPARGKDM4EAHR
SCHEMBL6984202 0.83 HIF1A (0.52) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6981203 0.82 HIF1A (0.57) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27903825 0.81 KDM4E (0.61) HIF1AMAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL6978323 0.81 KDM4E (0.50) HIF1AMAPTNPC1RAB9APARG
SCHEMBL4253620 0.77 MAOB (0.66) HIF1AMAPTSMN1; SMN2CA12CA9
SCHEMBL27903827 0.73 MAPT (0.58) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9826319 0.72 KDM4E (0.40) MAPTSMN1; SMN2NPC1RAB9ACA12

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 4824/4885SMN1; SMN2 4321/4885

“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.