SCHEMBL2198399

SCHEMBL2198399

Nc1cccc2ccc(S(=O)(=O)c3cccc(F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTR6 P50406 4/20 0.41
HTR2A P28223 3/20 0.41
FFAR2 O15552 6/20 0.39
NFE2L2 Q16236 2/20 0.38
SLC40A1 Q9NP59 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL2194234 0.83 AKR1B1 (0.50) HDAC1HDAC2HDAC8HDAC6HTR6
SCHEMBL4563072 0.83 HDAC1 (0.46) HDAC1HDAC2HDAC8HDAC6HTR6
SCHEMBL2194334 0.83 AKR1B1 (0.53) HDAC1HDAC2HDAC8HDAC6HTR6
SCHEMBL2195847 0.79 KMT2A (0.50) HDAC1HDAC2HDAC8HDAC6HTR6
SCHEMBL8016026 0.77 KMT2A (0.49) SLC40A1
SCHEMBL2198404 0.77 HTR2A (0.60) HTR6HTR2AFFAR2NFE2L2SLC40A1
SCHEMBL3556344 0.75 HTR6 (0.60) HTR6HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2197448 0.74 HTR6 (0.59) HTR6HTR2AHTR2CHTR2B
SCHEMBL28506880 0.74 LMNA (0.47) HTR6HTR2AFFAR2NFE2L2HTR2C
SCHEMBL10974973 0.74 CA1 (0.43) SLC40A1

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 HDAC1 2412/4885HDAC2 2233/4885HDAC8 2019/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HDAC1 870/4885HDAC2 779/4885HDAC8 789/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HDAC1 3485/4885HDAC2 4027/4885HDAC8 3998/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HDAC1 3485/4885HDAC2 4027/4885HDAC8 3998/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HDAC1 2412/4885HDAC2 2233/4885HDAC8 2019/4885

“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.