SCHEMBL2196111

SCHEMBL2196111

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
IDO1 P14902 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SIRT5 Q9NXA8 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
GAA P10253 1/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL2197939 0.84 IDO1 (0.56) PDE10AHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL2197258 0.84 PDE10A (0.46) PDE10AHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL2198789 0.81 PDE10A (0.48) PDE10AHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL2196116 0.81 MEN1 (0.48) PDE10AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2195107 0.80 MEN1 (0.56) PDE10AHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL3713823 0.80 PDE10A (0.60) PDE10AHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL2197730 0.78 HAO1 (0.42) MAPTMEN1KMT2AHAO1KDM4E
SCHEMBL3202694 0.78 HAO1 (0.42) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2198576 0.78 HAO1 (0.42) MAPTMEN1KMT2AALDH1A1HAO1
SCHEMBL2196736 0.75 KMT2A (0.49) PDE10AMAPTMEN1KMT2ASMN1; SMN2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-01 US claimed
CN-108349897-A Trisubstituted silylphenoxyheterocycles and analogs 拜耳作物科学股份公司 2018-07-31 CN claimed
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 (6 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 1057/4885HSP90AA1 2574/4885HSP90AB1 2728/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 PDE10A 497/4885HSP90AA1 3493/4885HSP90AB1 2774/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885HSP90AA1 3368/4885HSP90AB1 3977/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 PDE10A 1208/4885HSP90AA1 3368/4885HSP90AB1 3977/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 PDE10A 1057/4885HSP90AA1 2574/4885HSP90AB1 2728/4885
US-20190233444-A1 TRISUBSTITUTEDSILYLPHENOXYHETEROCYCLES AND ANALOGUES PIK3C3, ERG28, DDT PDE10A 798/4885HSP90AA1 3138/4885HSP90AB1 2609/4885

“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.