SCHEMBL104336

SCHEMBL104336

CC(C)c1ccc(C(=O)NC2CC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.55
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ADRA2A P08913 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPK14 Q16539 2/20 0.46
HPGD P15428 2/20 0.46
DRD4 P21917 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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) CNR2KMT2AMEN1NPC1RAB9A
SCHEMBL105058 0.82 CNR2 (0.52) CNR2KMT2AMEN1TAS1R3TAS1R2
SCHEMBL105413 0.82 TAS1R3 (0.53) CNR2KMT2ATAS1R3TAS1R2NPC1
SCHEMBL13816273 0.81 CNR2 (0.59) CNR2KMT2AKDM4EL3MBTL1NPC1
SCHEMBL178563 0.80 MEN1 (0.68) CNR2KMT2AMEN1KDM4EPOLB
SCHEMBL13122961 0.79 TAS1R3 (0.63) CNR2KMT2AMEN1TAS1R3TAS1R2
SCHEMBL105169 0.78 RAB9A (0.57) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7598306 0.77 TSHR (0.59) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL19651836 0.77 MAPK14 (0.53) CNR2KMT2AMEN1MAPTTAS1R3
SCHEMBL14568525 0.77 MEN1 (0.54) CNR2KMT2AMEN1KDM4EPOLB

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 1750/4885KMT2A 2603/4885MEN1 3210/4885

“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.