SCHEMBL2895008

SCHEMBL2895008

CC(=O)n1c(=O)oc2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
GLA P06280 4/20 0.43
GAA P10253 4/20 0.43
MIF P14174 2/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
GFER P55789 1/20 0.43
S1PR4 O95977 1/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 5/20 0.41
IDO1 P14902 1/20 0.41
HSD17B3 P37058 3/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.40
CASP1 P29466 3/20 0.40
CASP7 P55210 3/20 0.40
MAOB P27338 2/20 0.40

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
SCHEMBL10165252 0.83 ASAH1 (0.52) KMT2AMIFMEN1PKMALDH1A1
SCHEMBL6650552 0.82 ASAH1 (0.51) KMT2AGAAMEN1PKMALDH1A1
SCHEMBL13318871 0.80 MIF (0.43) KMT2AMIFPKMALDH1A1IDO1
SCHEMBL2308656 0.77 PKM (0.59) KDM4EKMT2AMEN1PKMGFER
SCHEMBL7525629 0.77 IDO1 (0.65) GAAMAPTALDH1A1IDO1HSD17B10
SCHEMBL5171250 0.74 ALDH1A1 (0.50) PKMALDH1A1IDO1LMNAHPGD
SCHEMBL14827511 0.73 MIF (0.41) KDM4EKMT2AGLAGAAMIF
SCHEMBL3063571 0.71 LMNA (0.49) KDM4EKMT2AMIFALDH1A1LMNA
SCHEMBL14199075 0.68 MIF (0.48) KMT2AMIFALDH1A1HPGDSMN1; SMN2
SCHEMBL5635490 0.67 KMO (0.41) KMT2AMEN1ALDH1A1IDO1POLB

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-20100286195-A1 NOVEL BENZOOXAZOL-AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-11 US disclosed
EP-2201004-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-30 EP disclosed
WO-2009034042-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-03-19 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-20100286195-A1 NOVEL BENZOOXAZOL-AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, MAOB, SLC6A2 KDM4E 2218/4885KMT2A 2888/4885GLA 3377/4885

“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.