SCHEMBL2194334

SCHEMBL2194334

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
HSP90AA1 P07900 1/20 0.49
CXCR5 P32302 1/20 0.49
APLNR P35414 1/20 0.49
CCR6 P51684 1/20 0.49
SLC40A1 Q9NP59 2/20 0.46
LRRK2 Q5S007 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR6 P50406 2/20 0.41
PIK3CA P42336 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
SCHEMBL2196771 0.85 AKR1B1 (0.53) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL2198399 0.83 HDAC1 (0.46) SLC40A1HDAC1HDAC2HDAC8HDAC6
SCHEMBL2198494 0.81 HSP90AA1 (0.60) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL2194234 0.80 AKR1B1 (0.50) AKR1B1SLC40A1HDAC1HDAC2HDAC8
SCHEMBL2194333 0.79 SLC40A1 (0.47) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL3563290 0.77 HTR6 (0.56) AKR1B1HSP90AA1CXCR5APLNRCCR6
Hydrochloric Acid SCHEMBL2195294 0.76 HTR6 (0.56) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL8016026 0.74 KMT2A (0.49) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL8863056 0.73 CA1 (0.65) AKR1B1HSP90AA1CXCR5APLNRCCR6
SCHEMBL30859041 0.73 CA1 (0.65) AKR1B1HSP90AA1CXCR5APLNRCCR6

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 AKR1B1 4515/4885HSP90AA1 2574/4885CXCR5 709/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 AKR1B1 3973/4885HSP90AA1 3493/4885CXCR5 1192/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 AKR1B1 3396/4885HSP90AA1 3368/4885CXCR5 1043/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 AKR1B1 3396/4885HSP90AA1 3368/4885CXCR5 1043/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 AKR1B1 4515/4885HSP90AA1 2574/4885CXCR5 709/4885

“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.