SCHEMBL2195253

SCHEMBL2195253

O=[N+]([O-])c1cccc2ccc(S(=O)(=O)c3cccc(Cl)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 5/20 0.50
HTT P42858 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
AKR1B1 P15121 1/20 0.46
NPY1R P25929 1/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM1A O60341 1/20 0.44
KIF18A Q8NI77 1/20 0.44
PDE10A Q9Y233 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 2/20 0.42
THRB P10828 1/20 0.41
IDO1 P14902 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
SCHEMBL2195847 0.85 KMT2A (0.50) MEN1KMT2ALMNAHTTNPC1
SCHEMBL2198494 0.82 HSP90AA1 (0.60) MEN1KMT2ALMNAHTTNPC1
SCHEMBL2197808 0.80 HTT (0.48) MEN1KMT2ALMNAHTTNPC1
SCHEMBL2194234 0.79 AKR1B1 (0.50) MEN1KMT2ANPSR1AKR1B1NPY1R
SCHEMBL1031078 0.72 PDE10A (0.59) MEN1KMT2ALMNAHTTNPC1
SCHEMBL3560924 0.71 HTR6 (0.56) HTTAKR1B1THRB
SCHEMBL2195110 0.71 IDO1 (0.55) MEN1KMT2ALMNAHTTNPC1
Hydrochloric Acid SCHEMBL2198310 0.71 HTR6 (0.55) HTTAKR1B1THRB
SCHEMBL10923408 0.69 KMT2A (0.64) MEN1KMT2ALMNAHTTNPC1
SCHEMBL2195248 0.69 PDE10A (0.49) MEN1KMT2ALMNAHTTNPC1

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 MEN1 1466/4885KMT2A 2088/4885LMNA 3255/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 MEN1 2236/4885KMT2A 2441/4885LMNA 3126/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885LMNA 2482/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885LMNA 2482/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 MEN1 1466/4885KMT2A 2088/4885LMNA 3255/4885

“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.