SCHEMBL104343

SCHEMBL104343

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
HPGD P15428 2/20 0.51
IDH1 O75874 6/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 2/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
NFKB1 P19838 1/20 0.43
EPHX2 P34913 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MAPK14 Q16539 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL14831145 0.84 IDH1 (0.49) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL14831146 0.84 IDH1 (0.49) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL104350 0.84 TAS1R3 (0.59) HPGDTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL104335 0.84 NPC1 (0.50) HPGDTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL14831500 0.83 RAB9A (0.52) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL16097917 0.83 RAB9A (0.52) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL14831499 0.83 RAB9A (0.52) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL16097919 0.83 RAB9A (0.52) HRH3HPGDIDH1SMN1; SMN2NPC1
SCHEMBL104356 0.82 HPGD (0.62) HRH3HPGDIDH1TAS1R3TAS1R1
SCHEMBL14833690 0.81 IDH1 (0.51) HRH3HPGDIDH1BRD4

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 2 patents. 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
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 HRH3 634/4885HPGD 4110/4885IDH1 1744/4885

“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.