SCHEMBL3854634

SCHEMBL3854634

COC(Cc1cccc(N)c1N)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.39
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PIK3CA P42336 1/20 0.33
ADRA2B P18089 1/20 0.33
PTGS1 P23219 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ESR1 P03372 1/20 0.31
KCNH2 Q12809 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL588658 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TDP1ADRA2BPTGS1
SCHEMBL4990649 0.83 CD44 (0.42) CD44CYP3A4TSHRKCNH2TAAR1
SCHEMBL28762354 0.83 CD44 (0.38) CD44ALDH1A1CYP3A4TSHRTDP1
SCHEMBL16101465 0.78 GABRA1 (0.54) CD44ALDH1A1CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL28797189 0.76 GABRA1 (0.52) CD44CYP3A4TSHRTDP1PIK3CA
SCHEMBL30645137 0.74 CD44 (0.43) CD44ALDH1A1CYP3A4TSHRTDP1
SCHEMBL4038330 0.74 CD44 (0.43) CD44ALDH1A1CYP3A4TSHRTDP1
SCHEMBL28762360 0.73 CD44 (0.35) CD44ALDH1A1CYP3A4TSHRPIK3CA
SCHEMBL21335900 0.72 TAAR1 (0.46) CD44ESR1KCNH2TAAR1
SCHEMBL4423497 0.71 AOC3 (0.53) CYP3A4KCNH2

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 CD44 4811/4885ALDH1A1 319/4885CYP3A4 56/4885

“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.