SCHEMBL2195199

SCHEMBL2195199

Nc1cccc2cc(S(=O)(=O)c3ccc(Cl)cc3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 3/20 0.44
HTR6 P50406 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPY1R P25929 1/20 0.41
FFAR2 O15552 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
APP P05067 1/20 0.39
COMT P21964 1/20 0.39

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
SCHEMBL2197413 0.88 HTR6 (0.44) MEN1KMT2AHTR2AHTR6HTR1A
SCHEMBL2196445 0.87 HTR6 (0.56) HTR2AHTR6ALDH1A1HTR1ADRD2
SCHEMBL3909234 0.83 GRM5 (0.51) MEN1KMT2AHTR2AHTR6ALDH1A1
SCHEMBL2195248 0.81 PDE10A (0.49) MEN1KMT2AHTR2AHTR6ALDH1A1
SCHEMBL2194713 0.81 HTR6 (0.51) HTR2AHTR6ALDH1A1HTR1ADRD2
SCHEMBL2194230 0.81 AKT1 (0.42) MEN1KMT2AHTR2AHTR6ALDH1A1
SCHEMBL2198404 0.80 HTR2A (0.60) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL2194333 0.76 SLC40A1 (0.47) HTR2AHTR6HTR1ADRD2HTR7
SCHEMBL4232976 0.76 HTR2A (0.47) MEN1KMT2AHTR2AHTR6HTR1A
SCHEMBL2198396 0.76 HTR2A (0.46) HTR2AHTR6HTR1ADRD2HTR7

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 MEN1 1466/4885KMT2A 2088/4885HTR2A 9/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 MEN1 2236/4885KMT2A 2441/4885HTR2A 124/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885HTR2A 8/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885HTR2A 8/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 MEN1 1466/4885KMT2A 2088/4885HTR2A 9/4885

“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.