SCHEMBL104586

SCHEMBL104586

CC(C)c1ccc(NC(=O)N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
NPC1 O15118 4/20 1.00
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
GAA P10253 3/20 0.68
SMN1; SMN2 Q16637 7/20 0.66
TP53 P04637 2/20 0.65
ESR2 Q92731 1/20 0.65
BLM P54132 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
PANK3 Q9H999 3/20 0.64
MAPT P10636 2/20 0.62
HPGD P15428 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 4/20 0.62
THRB P10828 1/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.59

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
SCHEMBL4559943 0.86 NPC1 (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL104337 0.86 RAB9A (0.75) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1575190 0.85 NPC1 (0.74) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL104605 0.83 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2TP53
SCHEMBL6764523 0.83 NPC1 (0.71) RAB9ANPC1KMT2ASMN1; SMN2TP53
SCHEMBL178526 0.83 NPC1 (0.71) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL5852053 0.83 GAA (0.73) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL10594359 0.83 GAA (0.73) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2475796 0.83 GAA (0.73) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL8312462 0.83 GAA (0.73) RAB9ANPC1MEN1KMT2AGAA

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 RAB9A 3030/4885NPC1 1892/4885MEN1 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.