SCHEMBL1114897

SCHEMBL1114897

CC(=O)NCCN1C(=O)COc2ccc(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.48
POLB P06746 3/20 0.48
KMO O15229 1/20 0.48
TP53 P04637 1/20 0.47
PLK1 P53350 1/20 0.47
HTT P42858 1/20 0.47
SCD O00767 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM1 P11229 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
SCHEMBL1115118 0.87 TSHR (0.51) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL10183128 0.87 CYP3A4 (0.64) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL1114883 0.84 GAA (0.49) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL1115095 0.82 CYP3A4 (0.47) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL10431058 0.81 TSHR (0.59) CYP3A4CYP2C19TSHRPOLBKMO
SCHEMBL8265361 0.81 SCD (0.50) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL8879021 0.81 HTT (0.54) TSHRPOLBKMOTP53PLK1
SCHEMBL5799186 0.81 KMO (0.52) CYP3A4CYP2C19TSHRPOLBKMO
SCHEMBL5773085 0.80 CYP3A4 (0.44) CYP3A4CYP2C19CYP2C9TSHRPOLB
SCHEMBL8265365 0.79 POLB (0.56) TSHRPOLBKMOTP53PLK1

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
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
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
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
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 CYP3A4 311/4885CYP2C19 352/4885CYP2C9 260/4885

“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.