SCHEMBL2379136

SCHEMBL2379136

O=C(CCl)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.52
NAMPT P43490 1/20 0.47
TRPA1 O75762 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
GSK3B P49841 1/20 0.47
HIF1A Q16665 1/20 0.47
MGLL Q99685 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
DDR1 Q08345 1/20 0.45
CNR1 P21554 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HSD11B1 P28845 1/20 0.44
MAPK14 Q16539 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL3142098 0.86 KAT6A (0.49) KAT6ANAMPTMGLLTAS1R3TAS1R1
SCHEMBL2379221 0.86 MAPT (0.46) KAT6ATRPA1ALDH1A1MAPK1GSK3B
SCHEMBL15382733 0.85 KAT6A (0.53) KAT6ANAMPTMGLLTAS1R3TAS1R1
SCHEMBL29393668 0.84 KAT6A (0.54) KAT6ANAMPTALDH1A1TAS1R3TAS1R1
SCHEMBL22556722 0.84 KAT6A (0.54) KAT6ANAMPTALDH1A1TAS1R3TAS1R1
SCHEMBL2094983 0.84 KAT6A (0.52) KAT6ANAMPTMGLLTAS1R3TAS1R1
SCHEMBL311274 0.84 KAT6A (0.52) KAT6ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL29393449 0.84 KAT6A (0.52) KAT6ANAMPTGSK3BTAS1R3TAS1R1
SCHEMBL13780117 0.84 KAT6A (0.52) KAT6ANAMPTTAS1R3TAS1R1TAS1R2
SCHEMBL29393793 0.84 KAT6A (0.52) KAT6ANAMPTTAS1R3TAS1R1TAS1R2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
EP-2023934-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-02-18 EP disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
WO-2007134149-A2 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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 (2 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-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 KAT6A 724/4885NAMPT 616/4885TRPA1 3045/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 KAT6A 724/4885NAMPT 616/4885TRPA1 3045/4885

“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.