SCHEMBL2198619

SCHEMBL2198619

Cc1cc([N+](=O)[O-])c2ncc(Br)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP1A2 P05177 3/20 0.38
KDM4E B2RXH2 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ACP1 P24666 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL18229829 0.86 HSP90AA1 (0.41) GPR35SMN1; SMN2CYP3A4HSP90AA1HSP90AB1
SCHEMBL18369852 0.81 GPR35 (0.44) GPR35SMN1; SMN2TSHRCYP3A4HSP90AA1
SCHEMBL31716007 0.75 CCR1 (0.42) SMN1; SMN2KDM4EALDH1A1MAPTTDP1
SCHEMBL6431603 0.75 PDE10A (0.60) GPR35SMN1; SMN2TSHRCYP3A4HSP90AA1
SCHEMBL27545523 0.75 GPR35 (0.39) GPR35SMN1; SMN2TSHRCYP3A4HSP90AA1
SCHEMBL2472343 0.74 HSP90AA1 (0.68) SMN1; SMN2GAAHSP90AA1HSP90AB1CYP1A2
SCHEMBL742711 0.74 CYP1A2 (0.43) GPR35SMN1; SMN2TSHRCYP3A4GAA
Tetramethylammonium Ion SCHEMBL8838445 0.74 PDE10A (0.54) SMN1; SMN2TSHRCYP3A4HSP90AA1HSP90AB1
SCHEMBL2194960 0.74 GSTP1 (0.42) GPR35SMN1; SMN2TSHRCYP3A4GAA
SCHEMBL19783368 0.73 ALDH1A1 (0.44) GPR35SMN1; SMN2TSHRCYP3A4HSP90AA1

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 14 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
CN-1315809-C Quinoline derivatives and their use as 5-HT6 ligands GLAXO GROUP LTD (GB) 2007-05-16 CN 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
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 GPR35 195/4885SMN1; SMN2 1658/4885TSHR 652/4885
US-20050124628-A1 Novel compounds NLN, ATP6V1B2, CHRNA2 GPR35 647/4885SMN1; SMN2 404/4885TSHR 3498/4885
US-20110237792-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 GPR35 273/4885SMN1; SMN2 3796/4885TSHR 272/4885
US-20100305107-A1 QUINOLINE DERIVATIVES AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR1A, HTR7 GPR35 273/4885SMN1; SMN2 3796/4885TSHR 272/4885
US-20090036682-A1 Quinoline Derivatives and Their Use as 5-HT6 Ligands HTR6, HTR3B, HTR4 GPR35 195/4885SMN1; SMN2 1658/4885TSHR 652/4885

“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.