SCHEMBL8488388

SCHEMBL8488388

O=[N+]([O-])c1cccc2cc(O)cnc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.65
HSP90AB1 P08238 1/20 0.65
PDE10A Q9Y233 1/20 0.60
GPR35 Q9HC97 2/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NOS1 P29475 2/20 0.46
NOS2 P35228 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP6 P55212 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL18508539 0.83 PDE10A (0.55) HSP90AA1HSP90AB1PDE10AGPR35MAPT
SCHEMBL27535082 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AGPR35MAPT
SCHEMBL29801038 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2195087 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AGPR35MAPT
SCHEMBL3713823 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AGPR35MAPT
SCHEMBL6431603 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AGPR35MAPT
SCHEMBL7795676 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL29253980 0.80 PDE10A (0.60) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
Hydrochloric Acid SCHEMBL9674734 0.79 PDE10A (0.58) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL2227640 0.79 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1

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-9242943-B2 1,4 oxazines as BACE1 and/or BACE2 inhibitors SIENA BIOTECH S.P.A. (IT) 2016-01-26 US disclosed
EP-2665713-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-27 EP disclosed
CN-103328454-A 1,4 oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN LA ROCHE 2013-09-25 CN disclosed
WO-2012098064-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-19 US disclosed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 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-20120184540-A1 1,4 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 HSP90AA1 3353/4885HSP90AB1 1953/4885PDE10A 3411/4885

“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.