SCHEMBL2197355

SCHEMBL2197355

O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3ccccc3Cl)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
PDE10A Q9Y233 1/20 0.46
NPY1R P25929 1/20 0.44
MEN1 O00255 5/20 0.43
KIF18A Q8NI77 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
NFKBIA P25963 2/20 0.42
RELA Q04206 2/20 0.42
SLC40A1 Q9NP59 2/20 0.42
MDM4 O15151 1/20 0.42
OPRK1 P41145 1/20 0.42
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD11B1 P28845 3/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL2196081 0.85 KMT2A (0.49) KMT2APDE10ANPY1RMEN1TDP1
SCHEMBL2195248 0.84 PDE10A (0.49) KMT2APDE10ANPY1RMEN1KIF18A
SCHEMBL2197118 0.83 HTR2A (0.53) KMT2APDE10AMEN1KIF18ATDP1
SCHEMBL2197808 0.81 HTT (0.48) KMT2APDE10ANPY1RMEN1KIF18A
SCHEMBL2194230 0.81 AKT1 (0.42) KMT2ANPY1RMEN1TDP1NFKBIA
SCHEMBL2195845 0.77 HTR2A (0.56) KMT2APDE10AMEN1SLC40A1ALDH1A1
SCHEMBL2198492 0.74 HSP90AA1 (0.57) KMT2APDE10AMEN1NFKBIARELA
SCHEMBL2200350 0.73 HTR6 (0.66) ALDH1A1LMNAL3MBTL1HTR1ADRD2
SCHEMBL3560921 0.73 HTR6 (0.74) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2196736 0.72 KMT2A (0.49) KMT2APDE10AMEN1TDP1ALDH1A1

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 KMT2A 2088/4885PDE10A 1057/4885NPY1R 188/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 KMT2A 2441/4885PDE10A 497/4885NPY1R 815/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 KMT2A 1762/4885PDE10A 1208/4885NPY1R 58/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 KMT2A 1762/4885PDE10A 1208/4885NPY1R 58/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 KMT2A 2088/4885PDE10A 1057/4885NPY1R 188/4885

“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.