SCHEMBL2198494

SCHEMBL2198494

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.60
CXCR5 P32302 1/20 0.60
APLNR P35414 1/20 0.60
CCR6 P51684 1/20 0.60
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 3/20 0.53
AKR1B1 P15121 1/20 0.49
NFKBIA P25963 2/20 0.45
RELA Q04206 2/20 0.45
SLC40A1 Q9NP59 2/20 0.44
MMP2 P08253 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HTR6 P50406 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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 0.84 KMT2A (0.50) HSP90AA1CXCR5APLNRCCR6MEN1
SCHEMBL2195253 0.82 MEN1 (0.50) MEN1KMT2ALMNAAKR1B1SLC40A1
SCHEMBL2198492 0.81 HSP90AA1 (0.57) HSP90AA1CXCR5APLNRCCR6MEN1
SCHEMBL2196771 0.81 AKR1B1 (0.53) HSP90AA1CXCR5APLNRCCR6MEN1
SCHEMBL2194334 0.81 AKR1B1 (0.53) HSP90AA1CXCR5APLNRCCR6MEN1
SCHEMBL1035540 0.76 MEN1 (0.54) MEN1KMT2ALMNANFKBIARELA
SCHEMBL3563290 0.73 HTR6 (0.56) HSP90AA1CXCR5APLNRCCR6AKR1B1
SCHEMBL2197259 0.73 LMNA (0.53) MEN1KMT2ALMNANFKBIARELA
Hydrochloric Acid SCHEMBL2195294 0.73 HTR6 (0.56) HSP90AA1CXCR5APLNRCCR6AKR1B1
SCHEMBL15689402 0.72 HSP90AA1 (0.70) HSP90AA1CXCR5APLNRCCR6MEN1

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 HSP90AA1 2574/4885CXCR5 709/4885APLNR 1213/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 HSP90AA1 3493/4885CXCR5 1192/4885APLNR 1925/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HSP90AA1 3368/4885CXCR5 1043/4885APLNR 258/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 HSP90AA1 3368/4885CXCR5 1043/4885APLNR 258/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 HSP90AA1 2574/4885CXCR5 709/4885APLNR 1213/4885

“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.