SCHEMBL1114883

SCHEMBL1114883

Nc1ccc2c(c1)N(CCNC(=O)c1ccccc1)C(=O)CO2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
KMO O15229 1/20 0.47
TSHR P16473 4/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
SCD O00767 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL1114897 0.84 CYP3A4 (0.50) KMOTSHRCYP3A4CYP2C19CYP2C9
SCHEMBL1115058 0.83 GAA (0.46) GAAKMOTSHRCYP3A4CYP2C19
SCHEMBL1115118 0.79 TSHR (0.51) TSHRCYP3A4CYP2C19CYP2C9SCD
SCHEMBL1115109 0.77 SCD (0.77) GAAKMOCYP3A4CYP2C19CYP2C9
SCHEMBL5799186 0.77 KMO (0.52) GAAKMOTSHRCYP3A4CYP2C19
SCHEMBL8263744 0.76 HTT (0.71) KMOTSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL13657563 0.76 TSHR (0.39) GAAKMOTSHRCYP3A4CYP2C19
SCHEMBL1114922 0.76 SCD (0.49) GAAKMOTSHRCYP3A4CYP2C19
SCHEMBL13651640 0.76 SCD (0.49) GAAKMOTSHRCYP3A4CYP2C19
SCHEMBL8265365 0.76 POLB (0.56) GAAKMOTSHRALDH1A1KMT2A

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 GAA 560/4885KMO 431/4885TSHR 4386/4885

“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.