SCHEMBL104084

SCHEMBL104084

CC(C)Nc1ncccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
LRRK2 Q5S007 1/20 0.44
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
NR0B1 P51843 1/20 0.43
TSHR P16473 2/20 0.41
FDPS P14324 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MMP2 P08253 1/20 0.39
CHRM1 P11229 1/20 0.39
COMT P21964 1/20 0.39
ADRA1A P35348 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13562933 0.78 FDPS (0.59) LRRK2NPC1RAB9ATSHRFDPS
SCHEMBL18934398 0.78 LRRK2 (0.45) IDO1LRRK2NPC1RAB9AFDPS
SCHEMBL12116973 0.77
SCHEMBL16334332 0.76 LRRK2 (0.40) IDO1LRRK2NPC1RAB9AFDPS
SCHEMBL13562934 0.76 SMN1; SMN2 (0.42) IDO1LRRK2NPC1RAB9AFDPS
SCHEMBL9908233 0.76 ALDH1A1 (0.44) IDO1LRRK2NPC1RAB9AFDPS
SCHEMBL17131638 0.76 LRRK2 (0.40) IDO1LRRK2FDPSALDH1A1L3MBTL1
SCHEMBL31441719 0.76 SMN1; SMN2 (0.42) IDO1LRRK2NPC1RAB9AFDPS
SCHEMBL11951649 0.76 LRRK2 (0.40) IDO1LRRK2NPC1RAB9ATSHR
SCHEMBL7281114 0.76 APP (0.46) IDO1LRRK2FDPSALDH1A1L3MBTL1

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 IDO1 3443/4885LRRK2 675/4885NPC1 1892/4885

“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.