SCHEMBL6690488

SCHEMBL6690488

O=C(Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
EPHX2 P34913 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.47
KDR P35968 1/20 0.47
S1PR1 P21453 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AR P10275 2/20 0.45
PGR P06401 1/20 0.45
CYP3A4 P08684 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PDK1 Q15118 1/20 0.43

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
SCHEMBL13881965 0.88 CYP2C9 (0.75) CYP1A2CYP2C9CYP2C19L3MBTL1S1PR1
SCHEMBL8902443 0.83 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1KDR
SCHEMBL5804037 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19EPHX2L3MBTL1
SCHEMBL21649319 0.82 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19EPHX2KDR
SCHEMBL13881966 0.80 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1KDR
SCHEMBL8530877 0.80 AR (0.58) CYP1A2CYP2C9CYP2C19L3MBTL1KDR
SCHEMBL22954115 0.79 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19EPHX2L3MBTL1
SCHEMBL31495074 0.79 KDR (0.76) KDRSMN1; SMN2CA1CA2CA9
SCHEMBL14325837 0.79 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19L3MBTL1KDR
SCHEMBL374358 0.79 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1234695-C N-alkoxyalkyl-substituted benzimidazoles and use thereof as active agent aginst parasitic protozoans BAYER AG (DE) 2006-01-04 CN disclosed
US-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans BAYER AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
CN-1479725-A N-alkoxyalkyl-substituted benzimidazoles and use thereof as active agent aginst parasitic protozoans 2004-03-03 CN disclosed
EP-1326845-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
WO-2002030909-A1 N-ALKOXYALKYL-SUBSTITUTED BENZIMIDAZOLES AND THE USE THEREOF AS AN AGENT AGAINST PARASITIC PROTOZOANS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-18 WO 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-20040044055-A1 N-alkoxlyalkyl-substituted benzimidazoles and the use thereof as an agent against parastic protozoans PIGO, EPX, PIGK CYP1A2 436/4885CYP2C9 1018/4885CYP2C19 694/4885

“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.