SCHEMBL2197258

SCHEMBL2197258

O=[N+]([O-])c1cccc2cc(Sc3cccc(C(F)(F)F)c3)cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 2/20 0.42
CXCR5 P32302 1/20 0.42
APLNR P35414 1/20 0.42
CCR6 P51684 1/20 0.42
XBP1 P17861 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKBIA P25963 1/20 0.41
RELA Q04206 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 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
SCHEMBL2196111 0.84 PDE10A (0.49) PDE10AKMT2AMEN1MAPTGAA
SCHEMBL2197259 0.82 LMNA (0.53) PDE10ALMNAKMT2AMEN1MAPT
SCHEMBL30873750 0.82 PDE10A (0.55) PDE10ALMNAKMT2AMEN1MAPT
SCHEMBL29213964 0.82 PDE10A (0.55) PDE10ALMNAKMT2AMEN1MAPT
SCHEMBL2197939 0.81 IDO1 (0.56) PDE10ALMNAKMT2AMEN1MAPT
SCHEMBL15689464 0.79 HSP90AA1 (0.44) LMNAKMT2AMEN1MAPTGAA
SCHEMBL11659683 0.78 MAPT (0.58) LMNAKMT2AMEN1MAPTGAA
SCHEMBL2195107 0.77 MEN1 (0.56) PDE10ALMNAKMT2AMEN1MAPT
SCHEMBL2198492 0.76 HSP90AA1 (0.57) PDE10ALMNAKMT2AMEN1HSP90AA1
SCHEMBL2198789 0.75 PDE10A (0.48) PDE10ALMNAKMT2AMEN1MAPT

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 1057/4885LMNA 3255/4885KMT2A 2088/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 PDE10A 497/4885LMNA 3126/4885KMT2A 2441/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885LMNA 2482/4885KMT2A 1762/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885LMNA 2482/4885KMT2A 1762/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 PDE10A 1057/4885LMNA 3255/4885KMT2A 2088/4885

“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.