SCHEMBL105058

SCHEMBL105058

CC(C)c1ccc(C(=O)NC2CC2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
SMYD3 Q9H7B4 10/20 0.50
MAPK14 Q16539 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD4 P21917 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44

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
SCHEMBL105864 0.84 CNR2 (0.53) CNR2MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL105413 0.82 TAS1R3 (0.53) CNR2MAPK14NPC1RAB9AHPGD
SCHEMBL104336 0.82 CNR2 (0.55) CNR2SMYD3MAPK14NPC1RAB9A
SCHEMBL31603829 0.81 SMYD3 (0.57) SMYD3MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL13816273 0.81 CNR2 (0.59) CNR2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL178414 0.80 MAPK14 (0.60) SMYD3MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL13122961 0.79 TAS1R3 (0.63) CNR2SMYD3MAPK14NPC1RAB9A
Hydrochloric Acid SCHEMBL28078 0.79 MAPK14 (0.59) SMYD3MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL7575487 0.77 ACE2 (0.56) NPC1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL19651836 0.77 MAPK14 (0.53) CNR2SMYD3MAPK14NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CNR2 1750/4885SMYD3 3770/4885MAPK14 1421/4885

“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.