SCHEMBL2197259

SCHEMBL2197259

O=[N+]([O-])c1cccc2ccc(Sc3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
GRM5 P41594 1/20 0.44
KDM4E B2RXH2 1/20 0.44
XBP1 P17861 1/20 0.44
NOTUM Q6P988 1/20 0.42
PDE10A Q9Y233 1/20 0.42
NFKBIA P25963 2/20 0.41
RELA Q04206 2/20 0.41
MAPK14 Q16539 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL2196116 0.84 MEN1 (0.48) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL2197258 0.82 PDE10A (0.46) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL2195110 0.81 IDO1 (0.55) LMNAALDH1A1MAPTHPGDMEN1
SCHEMBL11659683 0.77 MAPT (0.58) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL1035540 0.77 MEN1 (0.54) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL2198494 0.73 HSP90AA1 (0.60) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL11661507 0.71 HSP90AA1 (0.57) LMNAALDH1A1MAPTHPGDMEN1
SCHEMBL30873750 0.70 PDE10A (0.55) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL11664097 0.70 KIF11 (0.57) LMNAALDH1A1MAPTHPGDGAA
SCHEMBL29213964 0.70 PDE10A (0.55) LMNAALDH1A1MAPTHPGDGAA

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 LMNA 3255/4885ALDH1A1 2869/4885MAPT 437/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 LMNA 3126/4885ALDH1A1 2947/4885MAPT 136/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 LMNA 2482/4885ALDH1A1 2401/4885MAPT 1994/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 LMNA 2482/4885ALDH1A1 2401/4885MAPT 1994/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 LMNA 3255/4885ALDH1A1 2869/4885MAPT 437/4885

“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.