SCHEMBL84899

SCHEMBL84899

Fc1ccc2ccccc2c1C1=NCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
NOS3 P29474 2/20 0.41
NOS2 P35228 1/20 0.41
MAPK10 P53779 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
DNMT1 P26358 1/20 0.34
NISCH Q9Y2I1 3/20 0.34
MAPK14 Q16539 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HPRT1 P00492 1/20 0.33

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
SCHEMBL6985896 0.83 MAOA (0.44) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6983307 0.83 NOS3 (0.45) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6987417 0.80 MAPT (0.54) MAOANOS3NOS2MAPK10ALDH1A1
SCHEMBL6991272 0.80 MAOA (0.42) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL4114094 0.79 NOS3 (0.49) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6986286 0.78 MAOA (0.40) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL4113361 0.75 MAOA (0.41) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6986045 0.75 NISCH (0.40) MAOANOS3NOS2MAPK10ALDH1A1
SCHEMBL6986330 0.73 NOS3 (0.41) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6986047 0.73 MAOA (0.43) MAOANOS3NOS2MAPK10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129554-B2 Metal complexes MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129554-B2 Metal complexes MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
EP-1915386-B1 METAL COMPLEX MERCK PATENT GMBH (DE) 2011-06-08 EP disclosed
US-20090118453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-05-07 US disclosed
US-20090118453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-05-07 US disclosed
WO-2007019942-A1 METAL COMPLEX MERCK PATENT GMBH (DE) 2007-02-22 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 (1 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-20090118453-A1 METAL COMPLEXES SOD1, AP1M1, AP2M1 MAOA 686/4885NOS3 2910/4885NOS2 2387/4885

“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.