SCHEMBL3853560

SCHEMBL3853560

O=C1C(=O)N(Cc2ccc(F)c(F)c2)c2cccc(N3CCNCC3)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
SOS1 Q07889 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
EGFR P00533 1/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 1/20 0.37
KCNQ2 O43526 1/20 0.37
BCHE P06276 2/20 0.37
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.37
TSHR P16473 2/20 0.37
APAF1 O14727 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 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
SCHEMBL3854342 0.87 HTR6 (0.52) HTR6TDP1EGFRALDH1A1HTR1A
SCHEMBL3856927 0.86 HTR6 (0.46) HTR6TDP1EGFRALDH1A1HTR1A
SCHEMBL3857351 0.85 HTR6 (0.55) HTR6ALDH1A1HTTTP53CYP1A2
SCHEMBL3861756 0.84 HTR6 (0.49) HTR6TDP1EGFRALDH1A1HTT
SCHEMBL3858151 0.83 HTR6 (0.44) HTR6EGFRHTR1ADRD2HTR2A
SCHEMBL3853292 0.81 HTR1A (0.50) HTR6ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL3861364 0.81 HTR1A (0.49) HTR6ALDH1A1HTR1ADRD2HTR2A
SCHEMBL3857218 0.80 HTR6 (0.50) HTR6SOS1DPP4ALDH1A1HTT
SCHEMBL1136542 0.79 HTR6 (0.49) HTR6SOS1DPP4ALDH1A1HTT
Tert-Butyl Formate SCHEMBL27737438 0.78 HTR6 (0.46) HTR6TDP1EGFRALDH1A1MAPT

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-1904483-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
WO-2007006677-A1 BENZIMIDAZOLE DERIVATIVES AS 5-HT6,5-HT24 F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 WO claimed
US-20070015744-A1 Benzimidazolone and dihydroindolone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-01-18 US claimed
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
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 1077/4885SOS1 3959/4885UTS2R 1212/4885

“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.