SCHEMBL4463853

SCHEMBL4463853

FC(F)Oc1ccc[c]c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.34
SLC7A5 Q01650 2/20 0.34
NOTUM Q6P988 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SCN10A Q9Y5Y9 4/20 0.33
KIF11 P52732 1/20 0.33
DRD1 P21728 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
DAGLA Q9Y4D2 1/20 0.32
SCN1A P35498 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GPR3 P46089 1/20 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
SCHEMBL7683321 0.82 HTT (0.38) SLC6A2SLC6A4SLC6A3DRD1KCNH2
SCHEMBL10469320 0.81 SLC6A2 (0.46) SCN5ANOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL16720386 0.76 MAPT (0.42) SCN5ANOTUMKIF11NISCHGRIN2B
SCHEMBL1068899 0.75 SLC22A12 (0.32) DRD1
SCHEMBL7683503 0.75 MRGPRX1 (0.33) SLC6A2SLC6A4SLC6A3KCNH2SCN9A
SCHEMBL6573031 0.74 FFAR4 (0.40) SLC7A5NOTUMKIF11GRIN2BGPR3
SCHEMBL5322056 0.73 SCN9A (0.38) KIF11SCN9AGRIN2BKDM4EALDH1A1
SCHEMBL134889 0.72 KDM5A (0.36) SCN5ANOTUMKIF11NISCHSCN9A
SCHEMBL1063855 0.72 KCNK3 (0.30)
SCHEMBL4463855 0.71 DRD1 (0.35) SCN5ANOTUMKIF11DRD1NISCH

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
US-7482358-B2 Imidazoline compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-27 US disclosed
US-20060135559-A1 Novel imidazoline compounds MSD K.K. (JP) 2006-06-22 US disclosed
US-7064142-B2 Imidazonline compounds BANYU PHARMACEUTICAL, CO., LTD. (JP) 2006-06-20 US disclosed
EP-1264826-B1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMA CO LTD (JP) 2005-03-30 EP disclosed
US-20030158418-A1 Novel imidazonline compounds MSD K.K. (JP) 2003-08-21 US disclosed
EP-1264826-A1 NOVEL IMIDAZOLINE COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20060135559-A1 Novel imidazoline compounds GPR119, NPY1R, NPY2R SCN5A 2076/4885SLC7A5 1462/4885NOTUM 3511/4885
US-20030158418-A1 Novel imidazonline compounds NPY1R, NPY2R, GPR119 SCN5A 1671/4885SLC7A5 1730/4885NOTUM 3500/4885

“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.