SCHEMBL3850869

SCHEMBL3850869

Fc1cccc(Cn2ccc3c(Br)cccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
SLC2A1 P11166 1/20 0.53
GRM2 Q14416 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DBH P09172 1/20 0.50
MPO P05164 1/20 0.47
CYP19A1 P11511 2/20 0.47
MAPK14 Q16539 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 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
SCHEMBL122228 0.85 HTR6 (0.52) HTR6GRM2ALDH1A1LMNASMN1; SMN2
SCHEMBL4937586 0.83 HTR6 (0.60) HTR6SLC2A1GRM2ALDH1A1TDP1
SCHEMBL8685326 0.79 ALDH1A1 (0.72) HTR6SLC2A1ALDH1A1LMNATDP1
SCHEMBL16035738 0.77 MAPK14 (0.46) HTR6SLC2A1GRM2ALDH1A1LMNA
SCHEMBL31258087 0.77 HTR6 (0.55) HTR6SLC2A1ALDH1A1LMNATDP1
SCHEMBL1104768 0.77 HTR6 (0.55) HTR6SLC2A1ALDH1A1LMNATDP1
SCHEMBL4966720 0.77 HTR6 (0.50) HTR6SLC2A1ALDH1A1LMNATDP1
SCHEMBL6085951 0.75 EGFR (0.51) SLC2A1DBHMAPK14SLC6A2SLC6A4
SCHEMBL16044140 0.75 FGFR1 (0.51) HTR6SLC2A1GRM2ALDH1A1LMNA
SCHEMBL8255094 0.74 SLC2A1 (0.46) HTR6SLC2A1LMNA

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
US-7582760-B2 7-Chloro-1-(3-fluoro-benzyl)-4-piperazin-1-yl-1,3-dihydro-benzoimidazol-2-one; useful for modulating the 5-HT6 receptor; useful in the treatment of certain CNS disorders such as Parkinson's disease, Huntington's disease, anxiety, depression, manic depression, psychoses, epilepsy etc. ROCHE PALO ALTO LLC (US) 2009-09-01 US disclosed
US-7582760-B2 7-Chloro-1-(3-fluoro-benzyl)-4-piperazin-1-yl-1,3-dihydro-benzoimidazol-2-one; useful for modulating the 5-HT6 receptor; useful in the treatment of certain CNS disorders such as Parkinson's disease, Huntington's disease, anxiety, depression, manic depression, psychoses, epilepsy etc. ROCHE PALO ALTO LLC (US) 2009-09-01 US disclosed
US-7582760-B2 7-Chloro-1-(3-fluoro-benzyl)-4-piperazin-1-yl-1,3-dihydro-benzoimidazol-2-one; useful for modulating the 5-HT6 receptor; useful in the treatment of certain CNS disorders such as Parkinson's disease, Huntington's disease, anxiety, depression, manic depression, psychoses, epilepsy etc. ROCHE PALO ALTO LLC (US) 2009-09-01 US disclosed
CN-101263136-A Benzimidazole derivatives as 5-HT6, 5-HT24 HOFFMANN LA ROCHE (CH) 2008-09-10 CN disclosed
EP-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO disclosed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US disclosed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US disclosed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 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 (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-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof RECQL, AR, DHX35 HTR6 1077/4885SLC2A1 4427/4885GRM2 3595/4885

“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.