SCHEMBL2379455

SCHEMBL2379455

Nc1cccc(Br)c1OCC(=O)c1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
GRM4 Q14833 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 3/20 0.32
HTT P42858 3/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KCNK3 O14649 2/20 0.31
KCNK9 Q9NPC2 2/20 0.31

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
SCHEMBL2380242 0.81 TRPV1 (0.38) LMNAGRM4KMT2AMAPK1L3MBTL1
SCHEMBL2379941 0.79 NPC1 (0.42) LMNAKMT2AMEN1MAPK1L3MBTL1
SCHEMBL4035192 0.75 ABCB1 (0.37) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9200260 0.74 PTPN1 (0.42) LMNAKMT2AMEN1MAPK1L3MBTL1
SCHEMBL2378913 0.73 NPC1 (0.44) LMNAGRM4KMT2AMEN1MAPK1
SCHEMBL2378897 0.72 TDP1 (0.40) SMN1; SMN2MAPT
SCHEMBL2378290 0.71 YAP1 (0.40) LMNAKMT2AMEN1MAPK1L3MBTL1
SCHEMBL2379132 0.70 HDAC3 (0.42) SMN1; SMN2
SCHEMBL3548983 0.69 IRAK4 (0.53) LMNAKMT2AMEN1MAPK1ALDH1A1
SCHEMBL22987944 0.69 CTSD (0.57) LMNAKMT2AMEN1MAPK1ALDH1A1

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 9 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-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
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 LMNA 780/4885GRM4 4774/4885KMT2A 3301/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 LMNA 780/4885GRM4 4774/4885KMT2A 3301/4885

“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.