SCHEMBL2478764

SCHEMBL2478764

CN1CCc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38

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
SCHEMBL28319363 0.81 TDP1 (0.42) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL28294144 0.80 HTR2A (0.44) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL27975969 0.80 TDP1 (0.41) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL27406049 0.79 HTR2A (0.47) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL16706320 0.78 GAA (0.38) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL28837500 0.78 GPR35 (0.42) GAATDP1KMT2AHTTMEN1
SCHEMBL15077831 0.77 KMT2A (0.39) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL23152886 0.77 HTR2A (0.43) GAAHTR2AHTR2CHTR2BTDP1
SCHEMBL1715998 0.76 GAA (0.44) GAATDP1KMT2AHTTTSHR
SCHEMBL2850765 0.75 NOTUM (0.43) TDP1KMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180554-A A kind of method of methylation reaction 广东石油化工学院 2019-01-11 CN disclosed
CN-102503881-B Optically active tryptamine derivative and synthetic method and application thereof UNIV EAST CHINA NORMAL 2013-08-07 CN disclosed
CN-102617443-A Optically active indole derivative, synthetic method and application thereof UNIV EAST CHINA NORMAL 2012-08-01 CN disclosed
CN-102503881-A Optically active tryptamine derivative and synthetic method and application thereof UNIV EAST CHINA NORMAL 2012-06-20 CN disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
CN-1823063-B Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD 2010-07-14 CN disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
CN-1823063-A Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2006-08-23 CN disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP disclosed
CN-1194966-C Methylation of indole compounds using dimethyl carbonate HOFFMANN LA ROCHE (CH) 2005-03-30 CN disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
CN-1425003-A Methylation of indole compounds from dimethyl carbonate HOFFMANN LA ROCHE (CH) 2003-06-18 CN 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 (3 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-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885HTR2A 1422/4885HTR2C 1379/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885HTR2A 1422/4885HTR2C 1379/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GAA 477/4885HTR2A 1422/4885HTR2C 1379/4885

“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.