SCHEMBL8916346

SCHEMBL8916346

O=C(OP)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.48
SLC6A4 P31645 3/20 0.45
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SLC6A2 P23975 1/20 0.40
LTB4R2 Q9NPC1 5/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
BCAT2 O15382 1/20 0.39
BRS3 P32247 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
BDKRB1 P46663 1/20 0.37

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
SCHEMBL29390423 0.84 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL562 0.84 SLC6A3 (0.68) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL8670912 0.83 SLC6A3 (0.66) SLC6A3SLC6A4SLC6A2LTB4R2BRS3
SCHEMBL5863187 0.82 TSHR (0.57) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL28731490 0.81 SCN1A (0.53) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL283 0.81 SLC6A3 (0.48) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL9178840 0.81 ALDH1A1 (0.56) SLC6A3SCN1ASCN2ASCN3ASLC6A2
SCHEMBL29500197 0.81 SCN1A (0.53) SLC6A3SLC6A4SCN1ASCN2ASCN3A
SCHEMBL365731 0.80 LTB4R2 (0.57) CES2CES1LTB4R2BRS3
SCHEMBL29502712 0.80 LTB4R2 (0.57) CES2CES1LTB4R2BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483246-B1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-11-15 EP disclosed
US-9221763-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-29 US disclosed
US-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-05 US disclosed
US-8889882-B2 Process for preparing biphenyl imidazole compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-11-18 US disclosed
US-8541597-B2 Process for preparing biphenyl imidazole compounds THERAVANCE, INC. (US) 2013-09-24 US disclosed
US-20120209008-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE, INC. (US) 2012-08-16 US disclosed
US-8188294-B2 Process for preparing biphenyl imidazole compounds THERAVANCE, INC. (US) 2012-05-29 US disclosed
US-8188294-B2 Process for preparing biphenyl imidazole compounds THERAVANCE, INC. (US) 2012-05-29 US disclosed
US-20110077411-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-03-31 US disclosed
US-20110077411-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2011-03-31 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 (3 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-20150038725-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 SLC6A3 383/4885SLC6A4 1495/4885SCN1A 4230/4885
US-20110077411-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 SLC6A3 383/4885SLC6A4 1495/4885SCN1A 4230/4885
US-20120209008-A1 PROCESS FOR PREPARING BIPHENYL IMIDAZOLE COMPOUNDS CYP4F3, CYP1B1, BMI1 SLC6A3 383/4885SLC6A4 1495/4885SCN1A 4230/4885

“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.