SCHEMBL3545651

SCHEMBL3545651

COc1cccc(N2Cc3ccc(F)cc3OC2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.52
FADS1 O60427 2/20 0.52
P2RX7 Q99572 1/20 0.44
PKM P14618 1/20 0.41
GRM2 Q14416 2/20 0.40
MGLL Q99685 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL3551114 0.88 MIF (0.54) MIFFADS1PKMPDE4APDE4B
SCHEMBL2765545 0.82 MIF (0.53) MIFPKMGRM2GAAALDH1A1
SCHEMBL3547917 0.75 MIF (0.67) MIFPKMPTGS2ALDH1A1
SCHEMBL2767286 0.74 MIF (0.45) MIFFADS1GAA
SCHEMBL3546808 0.73 CA2 (0.45) MIF
SCHEMBL2766991 0.72 MIF (0.74) MIFPKMPTGS2ALDH1A1
SCHEMBL3548006 0.71 MIF (0.50) MIFPKMGAA
SCHEMBL2767357 0.71 NPC1 (0.59) MIFPKMGRM2ALDH1A1
SCHEMBL2766364 0.71 MIF (0.65) MIFGRM2ALDH1A1
SCHEMBL3618891 0.71 MIF (0.49) MIFPKMGAAPTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795251-B2 3,4-dihydro-benzo[e][1,3]oxazin-2-ones NOVARTIS AG (CH) 2010-09-14 US disclosed
US-20090156588-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2009-06-18 US disclosed
EP-1874742-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108671-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2006-10-19 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-20090156588-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES CYP2C8, CYP2C18, CYP4B1 MIF 2538/4885FADS1 1080/4885P2RX7 1018/4885

“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.