SCHEMBL2197939

SCHEMBL2197939

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
PDE10A Q9Y233 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
USP7 Q93009 1/20 0.46
PDE7A Q13946 6/20 0.45
PDE7B Q9NP56 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 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
SCHEMBL2195107 0.88 MEN1 (0.56) IDO1PDE10AALDH1A1MEN1KMT2A
SCHEMBL2196111 0.84 PDE10A (0.49) IDO1PDE10AALDH1A1MEN1KMT2A
SCHEMBL2197258 0.81 PDE10A (0.46) PDE10AALDH1A1MEN1KMT2ATDP1
SCHEMBL2196736 0.81 KMT2A (0.49) IDO1PDE10AALDH1A1MEN1KMT2A
SCHEMBL2195110 0.81 IDO1 (0.55) IDO1PDE10AALDH1A1MEN1KMT2A
SCHEMBL2198789 0.75 PDE10A (0.48) IDO1PDE10AALDH1A1MEN1KMT2A
SCHEMBL28267868 0.75 PDE7A (0.66) IDO1ALDH1A1MEN1KMT2AUSP7
SCHEMBL2197808 0.74 HTT (0.48) PDE10AALDH1A1MEN1KMT2ATDP1
SCHEMBL295687 0.72 IDO1 (1.00) IDO1ALDH1A1MEN1KMT2APDE7A
SCHEMBL7795676 0.71 PDE10A (0.60) PDE10AALDH1A1MEN1KMT2ATDP1

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 IDO1 422/4885PDE10A 1057/4885ALDH1A1 2869/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 IDO1 1787/4885PDE10A 497/4885ALDH1A1 2947/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 IDO1 998/4885PDE10A 1208/4885ALDH1A1 2401/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 IDO1 998/4885PDE10A 1208/4885ALDH1A1 2401/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 IDO1 422/4885PDE10A 1057/4885ALDH1A1 2869/4885

“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.