SCHEMBL6991272

SCHEMBL6991272

PPc1ccc2ccccc2c1C1=NCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
NOS3 P29474 2/20 0.39
NOS2 P35228 1/20 0.39
HTR7 P34969 5/20 0.35
HTR1A P08908 4/20 0.35
MAPK10 P53779 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NISCH Q9Y2I1 3/20 0.32
DNMT1 P26358 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL6983307 0.80 NOS3 (0.45) MAOANOS3NOS2HTR7HTR1A
SCHEMBL84899 0.80 MAOA (0.44) MAOANOS3NOS2HTR7HTR1A
SCHEMBL6985896 0.80 MAOA (0.44) MAOANOS3NOS2MAPK10KDM4E
SCHEMBL6987417 0.76 MAPT (0.54) MAOANOS3NOS2MAPK10ALDH1A1
SCHEMBL4114094 0.75 NOS3 (0.49) MAOANOS3NOS2HTR7HTR1A
SCHEMBL6986286 0.74 MAOA (0.40) MAOANOS3NOS2HTR7HTR1A
SCHEMBL6986673 0.74 NOS3 (0.45) NOS3NOS2HTR7HTR1AKDM4E
SCHEMBL7069207 0.72 DNMT1 (0.42) KDM4EALDH1A1NISCHDNMT1
SCHEMBL6986045 0.72 NISCH (0.40) MAOANOS3NOS2MAPK10ALDH1A1
SCHEMBL6986330 0.70 NOS3 (0.41) MAOANOS3NOS2HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183378-B2 Ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-05-22 US disclosed
US-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-10-01 US 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-20090247757-A1 LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OGFR, OR10J3, OPRL1 MAOA 2801/4885NOS3 1412/4885NOS2 2955/4885

“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.