SCHEMBL2196445

SCHEMBL2196445

Nc1cccc2cc(S(=O)(=O)c3ccccc3)cnc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
HTR2A P28223 4/20 0.56
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
HTR7 P34969 1/20 0.56
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC40A1 Q9NP59 2/20 0.43
FFAR2 O15552 1/20 0.43
HTR2B P41595 1/20 0.40
LMNA P02545 1/20 0.40
COMT P21964 1/20 0.38
NAMPT P43490 1/20 0.38
PARP1 P09874 1/20 0.38
PKM P14618 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
SCHEMBL2194713 0.93 HTR6 (0.51) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2195199 0.87 MEN1 (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2198404 0.86 HTR2A (0.60) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2197413 0.86 HTR6 (0.44) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2194333 0.83 SLC40A1 (0.47) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2194230 0.82 AKT1 (0.42) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL2198396 0.82 HTR2A (0.46) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL951404 0.82 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL11956740 0.82 HTR6 (0.56) HTR6HTR2AHTR1ADRD2HTR7
SCHEMBL3206061 0.82 HTR2A (0.56) HTR6HTR2AHTR1ADRD2HTR7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2023-02-09 US disclosed
WO-2021102370-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-05-27 WO disclosed
EP-2185555-B1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2016-03-16 EP disclosed
CN-101687866-B Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO KG 2014-06-04 CN disclosed
US-8440694-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2013-01-03 US disclosed
US-8293913-B2 Quinoline compounds suitable for treating disorders that respond to modulation of the serotonin-5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2012-10-23 US disclosed
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-20070032504-A1 Polymorphic form of 3-phenylsulfonyl -8-piperazin-1-yl-quinoline ROIVANT NEUROSCIENCES LTD. (BM) 2007-02-08 US disclosed
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
EP-1667975-A1 A POLYMORPHIC FORM OF 3-PHENYLSULFONYL-8-PIPERAZIN-1-YL-QUINOLINE GLAXO GROUP LIMITED (GB) 2006-06-14 EP disclosed
EP-1663980-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
CN-1656075-A Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2005-08-17 CN disclosed
US-20050124628-A1 Novel compounds ROIVANT NEUROSCIENCES LTD. (BM) 2005-06-09 US disclosed
WO-2005040124-A1 A POLYMORPHIC FORM OF 3-PHENYLSULFONYL -8-PIPERAZIN-1-YL-QUINOLINE GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
WO-2005026125-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 2005-03-24 WO 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-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HTR6 111/4885HTR2A 124/4885HTR1A 132/4885
US-20230041576-A1 METHODS AND MATERIALS FOR INHIBITING NF-kB ACTIVITY NFKBIA, IKBKB, NFKB2 HTR6 4434/4885HTR2A 4707/4885HTR1A 4795/4885
US-20130005703-A1 QUINOLINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN-5-HT6 RECEPTOR HTR6, HTR1A, HTR3B HTR6 1/4885HTR2A 7/4885HTR1A 2/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HTR6 1/4885HTR2A 8/4885HTR1A 2/4885
US-20060287334-A1 Quinoline compounds and pharmeceutical compositions containing them ATP6V1B2, CNR2, CNR1 HTR6 43/4885HTR2A 84/4885HTR1A 68/4885

“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.