SCHEMBL104350

SCHEMBL104350

CC(C)c1ccc(C(=O)NC2CC2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
PLG P00747 2/20 0.51
KLK1 P06870 2/20 0.51
KLK6 Q92876 2/20 0.51
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.47
BRD4 O60885 5/20 0.46
SMYD3 Q9H7B4 1/20 0.44
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
NFKB1 P19838 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL104335 0.85 NPC1 (0.50) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL104343 0.84 HRH3 (0.52) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL104356 0.84 HPGD (0.62) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL104388 0.81 ALDH1A1 (0.56) TAS1R3TAS1R1TAS1R2RAB9AHPGD
SCHEMBL4066954 0.80 TAS1R3 (0.88) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL13253682 0.79 PLG (0.57) PLGKLK1KLK6HPGDKDM4E
SCHEMBL4219383 0.76 HPGD (0.69) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL4218063 0.76 RAB9A (0.63) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL105169 0.76 RAB9A (0.57) NPC1RAB9AHPGDLMNAMAPT
SCHEMBL14924112 0.75 KMT2A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2

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 TAS1R3 1218/4885TAS1R1 1469/4885TAS1R2 1346/4885

“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.