SCHEMBL6983229

SCHEMBL6983229

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.55
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
PARG Q86W56 1/20 0.44
KDM4E B2RXH2 2/20 0.44
AHR P35869 1/20 0.44
ELANE P08246 2/20 0.44
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
CTRB1 P17538 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
LMNA P02545 1/20 0.43

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 0.87 HIF1A (0.52) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6982793 0.87 HIF1A (0.52) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28409651 0.86 HIF1A (0.70) HIF1AMAPTPARGKDM4EAHR
SCHEMBL6984202 0.86 HIF1A (0.52) HIF1AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6981203 0.85 HIF1A (0.57) HIF1AMAPTSMN1; SMN2MAPK1HTT
SCHEMBL27903825 0.84 KDM4E (0.61) HIF1AMAPTSMN1; SMN2MAPK1HTT
Hydrochloric Acid SCHEMBL6980117 0.79 KDM4E (0.53) HIF1AMAPTSMN1; SMN2HTTTDP1
SCHEMBL6982862 0.79 HIF1A (0.57) HIF1AMAPTSMN1; SMN2MAPK1HTT
SCHEMBL8713575 0.77 KDM4E (0.45) HIF1AMAPTSMN1; SMN2HTTTDP1
SCHEMBL4253620 0.77 MAOB (0.66) HIF1AMAPTSMN1; SMN2MAPK1CA12

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.