SCHEMBL2197808

SCHEMBL2197808

O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3cccc(Cl)c3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
PDE10A Q9Y233 1/20 0.47
NPY1R P25929 1/20 0.46
KDM1A O60341 1/20 0.44
KIF18A Q8NI77 1/20 0.44
KMT2A Q03164 5/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2A P28223 3/20 0.41
HTR6 P50406 3/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR7 P34969 1/20 0.41
VCAM1 P19320 1/20 0.41

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
SCHEMBL2195248 0.90 PDE10A (0.49) HTTRAB9AALDH1A1MAPTNPC1
SCHEMBL2197118 0.87 HTR2A (0.53) HTTRAB9AALDH1A1MAPTPDE10A
SCHEMBL2195845 0.85 HTR2A (0.56) HTTRAB9AALDH1A1MAPTPDE10A
SCHEMBL2198492 0.82 HSP90AA1 (0.57) LMNAPDE10AKMT2AMEN1HTR2A
SCHEMBL2197355 0.81 KMT2A (0.46) HTTRAB9AALDH1A1MAPTLMNA
SCHEMBL2197413 0.81 HTR6 (0.44) LMNANPY1RKMT2AMEN1HTR2A
SCHEMBL2195253 0.80 MEN1 (0.50) HTTRAB9AALDH1A1MAPTNPC1
SCHEMBL2196081 0.77 KMT2A (0.49) PDE10ANPY1RKMT2AMEN1HTR2A
SCHEMBL2197939 0.74 IDO1 (0.56) HTTRAB9AALDH1A1MAPTNPC1
SCHEMBL5068818 0.72 HTR6 (0.77) HTTLMNAGAAHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236947-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2012-08-07 US disclosed
EP-1956004-B1 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2012-06-13 EP disclosed
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2011-09-29 US disclosed
US-7977337-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2011-07-12 US disclosed
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED 2010-12-02 US disclosed
US-7799774-B2 Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2009-12-03 US disclosed
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands GLAXO GROUP LIMITED 2009-02-05 US disclosed
EP-1956004-A1 Quinoline derivatives and their use as 5-HT6 ligands Glaxo Group Limited (GB) 2008-08-13 EP disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
EP-1497266-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003080580-A2 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS GLAXO GROUP LIMITED (GB) 2003-10-02 WO 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 (5 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-20090298841-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR3B, HTR4 HTT 151/4885RAB9A 1552/4885ALDH1A1 2869/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTT 253/4885RAB9A 374/4885ALDH1A1 2947/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTT 463/4885RAB9A 1970/4885ALDH1A1 2401/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTT 463/4885RAB9A 1970/4885ALDH1A1 2401/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HTT 151/4885RAB9A 1552/4885ALDH1A1 2869/4885

“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.