SCHEMBL3551114

SCHEMBL3551114

COc1ccc(N2Cc3ccc(F)cc3OC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.54
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 1/20 0.45
POLB P06746 4/20 0.44
HSD17B3 P37058 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
PMM2 O15305 2/20 0.42
MPI P34949 2/20 0.42
PHOSPHO1 Q8TCT1 2/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TP53 P04637 1/20 0.42
MAOB P27338 1/20 0.42
DPP4 P27487 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL3545651 0.88 MIF (0.52) MIFPKMPTGS1PTGS2PDE4A
SCHEMBL2766991 0.85 MIF (0.74) MIFNPC1RAB9APKMPOLB
SCHEMBL3547917 0.82 MIF (0.67) MIFNPC1RAB9APKMPOLB
SCHEMBL2765545 0.82 MIF (0.53) MIFNPC1RAB9APKMPOLB
SCHEMBL2766407 0.81 MIF (0.51) MIFNPC1RAB9APKMPOLB
SCHEMBL2767357 0.81 NPC1 (0.59) MIFNPC1RAB9APKMPOLB
SCHEMBL3543201 0.81 MIF (0.50) MIFNPC1RAB9APKMPOLB
SCHEMBL3548006 0.78 MIF (0.50) MIFNPC1RAB9APKMPOLB
SCHEMBL2767228 0.73 MIF (0.46) MIFNPC1RAB9APKMPOLB
SCHEMBL3545608 0.72 MIF (0.46) MIF

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 2538/4885NPC1 341/4885RAB9A 3651/4885

“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.