SCHEMBL1114922

SCHEMBL1114922

O=C(NCCN1C(=O)COc2ccc(N=Cc3ccc(Cl)c(Cl)c3)cc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.49
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMO O15229 1/20 0.42
PIK3CG P48736 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.37
RECQL P46063 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13651640 1.00 SCD (0.49) SCDMAPTKMT2AMEN1LMNA
SCHEMBL13657563 0.88 TSHR (0.39) SCDMAPTKMT2AKMOPIK3CG
SCHEMBL1115245 0.88 SCD (0.52) SCDMAPTKMT2AMEN1LMNA
SCHEMBL13651643 0.84 SCD (0.54) SCDMAPTKMOPIK3CGTSHR
SCHEMBL1115218 0.81 SCD (0.46) SCDMAPTKMT2AKMOPIK3CG
SCHEMBL1115220 0.81 SCD (0.46) SCDMAPTKMT2AKMOPIK3CG
SCHEMBL1114887 0.81 TSHR (0.44) SCDKMT2AKMOTSHRALDH1A1
SCHEMBL1115109 0.80 SCD (0.77) SCDMAPTKMT2AMEN1LMNA
SCHEMBL1115082 0.79 SCD (0.44) SCDMAPTKMT2ALMNAKMO
SCHEMBL1114883 0.76 GAA (0.49) SCDMAPTKMT2AKMOTSHR

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
EP-2278976-A1 2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-02-02 EP disclosed
WO-2009126527-A1 2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-10-15 WO disclosed
US-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 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-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SCD 1/4885MAPT 3922/4885KMT2A 2116/4885

“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.