SCHEMBL6987417

SCHEMBL6987417

COc1ccc2ccccc2c1C1=NCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
NISCH Q9Y2I1 1/20 0.53
MAPK10 P53779 5/20 0.48
PKM P14618 1/20 0.48
RAD52 P43351 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAOA P21397 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.39

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
SCHEMBL6986045 0.87 NISCH (0.40) MAPTNISCHMAPK10PKMRAD52
SCHEMBL6983307 0.85 NOS3 (0.45) NISCHMAPK10PKMRAD52MAOA
SCHEMBL13651006 0.83 MAOA (0.60) MAPTNISCHMAPK10PKMRAD52
SCHEMBL84899 0.80 MAOA (0.44) NISCHMAPK10MAOAALDH1A1NOS3
SCHEMBL6985896 0.80 MAOA (0.44) MAPTMAPK10MAOAALDH1A1NOS3
SCHEMBL4113361 0.79 MAOA (0.41) NISCHMAPK10PKMRAD52MAOA
SCHEMBL2796745 0.77 PKM (0.57) MAPTMAPK10PKMRAD52MAOA
SCHEMBL6991272 0.76 MAOA (0.42) NISCHMAPK10MAOAALDH1A1NOS3
SCHEMBL4114094 0.75 NOS3 (0.49) MAPTNISCHMAPK10PKMRAD52
SCHEMBL6986286 0.74 MAOA (0.40) NISCHMAPK10MAOAALDH1A1NOS3

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 4 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-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
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 MAPT 4854/4885NISCH 1202/4885MAPK10 2514/4885

“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.