SCHEMBL9696207

SCHEMBL9696207

O=C(c1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.66
NPC1 O15118 1/20 0.62
HTT P42858 1/20 0.62
GAA P10253 1/20 0.60
PARP1 P09874 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
FOLH1 Q04609 1/20 0.55
PTGER1 P34995 1/20 0.55
ALPG P10696 1/20 0.54
PTK2B Q14289 1/20 0.54
BRD4 O60885 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL7133972 0.92 ATM (0.61) SGMS2NPC1HTTGAALMNA
SCHEMBL27595889 0.92 SGMS2 (0.57) SGMS2NPC1HTTGAAPARP1
SCHEMBL8670382 0.91 SGMS2 (0.60) SGMS2NPC1HTTGAAPARP1
SCHEMBL112903 0.89 SGMS2 (0.66) SGMS2NPC1HTTGAAPARP1
SCHEMBL29433417 0.89 SGMS2 (0.66) SGMS2NPC1HTTGAAPARP1
SCHEMBL8786705 0.87 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
SCHEMBL17799483 0.87 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Hydrochloric Acid SCHEMBL8998291 0.87 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Bicarbonate SCHEMBL21753662 0.87 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1
Bicarbonate SCHEMBL236872 0.87 SGMS2 (0.64) SGMS2NPC1HTTGAAPARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 US disclosed
EP-2709992-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
WO-2012156284-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
EP-0498770-A1 Certain benzodioxole, benzodioxane and benzodioxepin derivatives CIBA-GEIGY AG (CH) 1992-08-12 EP disclosed
US-5120758-A Treating allergic, inflammatory, cardiovascular, pulmonary, arthritic, cutaneous disorders CIBA-GEIGY CORPORATION (US) 1992-06-09 US 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-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 SGMS2 2506/4885NPC1 265/4885HTT 2235/4885

“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.