SCHEMBL1199922

SCHEMBL1199922

CN1CC=Cc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
GPR35 Q9HC97 2/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD11B1 P28845 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
S100A4 P26447 1/20 0.35

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
SCHEMBL30722039 1.00 GAA (0.47) GAATDP1TSHRSMN1; SMN2KMT2A
SCHEMBL28660776 0.76 POLB (0.41) GAAKMT2AALDH1A1SIGMAR1
SCHEMBL4816836 0.75 GPR35 (0.35) GAATDP1TSHRSMN1; SMN2KMT2A
SCHEMBL1715556 0.72 GAA (0.42) GAATDP1TSHRSMN1; SMN2KMT2A
SCHEMBL7969057 0.72 ALDH1A1 (0.35) GAATSHRSMN1; SMN2KMT2AALDH1A1
SCHEMBL23346795 0.70 ADRA2C (0.39) GAATDP1TSHRKMT2AHTT
SCHEMBL30722035 0.70 ADRA2C (0.39) GAATDP1TSHRKMT2AHTT
SCHEMBL11817643 0.69 TDP1 (0.45) GAATDP1TSHRSMN1; SMN2KMT2A
Iodide SCHEMBL29271507 0.69 ADRA2C (0.38) GAATSHRKMT2AHTTLMNA
SCHEMBL2478764 0.69 GAA (0.48) GAATDP1TSHRSMN1; SMN2KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102600488-B IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LTD 2013-11-20 CN disclosed
CN-102600487-B Imaging the central nervous system GE HEALTHCARE LTD 2013-11-20 CN disclosed
EP-2247316-B1 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LTD (GB) 2013-11-06 EP disclosed
CN-102600487-A Imaging the central nervous system GE HEALTHCARE LTD 2012-07-25 CN disclosed
CN-102600488-A IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LTD 2012-07-25 CN disclosed
CN-101970017-B Visualization of the central nervous system GE HEALTHCARE LTD 2012-05-23 CN disclosed
EP-1685112-B1 TETRAHYDRO-QUINOLINYLUREA DERIVATIVES AS VR1 ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
CN-101970017-A Visualization of the central nervous system GE HEALTHCARE LTD 2011-02-09 CN disclosed
US-20110027178-A1 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2011-02-03 US disclosed
EP-2247316-A2 IMAGING THE CENTRAL NERVOUS SYSTEM GE Healthcare Limited (GB) 2010-11-10 EP disclosed
WO-2009106564-A2 IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LIMITED (GB) 2009-09-03 WO disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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 (2 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 GAA 2904/4885TDP1 4383/4885TSHR 395/4885
US-20110027178-A1 IMAGING THE CENTRAL NERVOUS SYSTEM P2RX3, P2RX7, P2RX2 GAA 2978/4885TDP1 1403/4885TSHR 1519/4885

“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.