SCHEMBL2196116

SCHEMBL2196116

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
PDE10A Q9Y233 1/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.40
NOTUM Q6P988 1/20 0.39
IDO1 P14902 1/20 0.39
NOS1 P29475 1/20 0.38
NOS2 P35228 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
SCHEMBL2195110 0.85 IDO1 (0.55) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2197259 0.84 LMNA (0.53) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2196111 0.81 PDE10A (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL27930198 0.73 PDE10A (0.59) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2195847 0.71 KMT2A (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL6741226 0.71 PDE7A (0.67) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11326420 0.69 PDE10A (0.61) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL1034974 0.68 MEN1 (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL24155822 0.67 MAPT (0.54) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3713823 0.67 PDE10A (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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 2088/4885SMN1; SMN2 1658/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 MEN1 2236/4885KMT2A 2441/4885SMN1; SMN2 404/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885SMN1; SMN2 3796/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 MEN1 817/4885KMT2A 1762/4885SMN1; SMN2 3796/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 MEN1 1466/4885KMT2A 2088/4885SMN1; SMN2 1658/4885

“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.