SCHEMBL2195248

SCHEMBL2195248

O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3ccc(Cl)cc3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
HTT P42858 4/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
KIF18A Q8NI77 1/20 0.46
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
HSP90AA1 P07900 2/20 0.44
JAK2 O60674 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 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
SCHEMBL2197808 0.90 HTT (0.48) PDE10AKMT2AMEN1HTTRAB9A
SCHEMBL2197118 0.89 HTR2A (0.53) PDE10AKMT2AMEN1HTTRAB9A
SCHEMBL2197355 0.84 KMT2A (0.46) PDE10AKMT2AMEN1HTTRAB9A
SCHEMBL2195845 0.82 HTR2A (0.56) PDE10AKMT2AMEN1HTTRAB9A
SCHEMBL3909234 0.81 GRM5 (0.51) KMT2AMEN1HTTMAPK1HTR1A
SCHEMBL2195199 0.81 MEN1 (0.46) KMT2AMEN1HTTNPSR1MAPK1
SCHEMBL2198492 0.79 HSP90AA1 (0.57) PDE10AKMT2AMEN1LMNAHSP90AA1
SCHEMBL2196081 0.79 KMT2A (0.49) PDE10AKMT2AMEN1HTR2ANPY1R
SCHEMBL2195107 0.77 MEN1 (0.56) PDE10AKMT2AMEN1HTTRAB9A
SCHEMBL4232976 0.74 HTR2A (0.47) KMT2AMEN1HSP90AA1HTR1ADRD2

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 PDE10A 1057/4885KMT2A 2088/4885MEN1 1466/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 PDE10A 497/4885KMT2A 2441/4885MEN1 2236/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885KMT2A 1762/4885MEN1 817/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885KMT2A 1762/4885MEN1 817/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 PDE10A 1057/4885KMT2A 2088/4885MEN1 1466/4885

“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.