SCHEMBL104335

SCHEMBL104335

Cc1cc(C(C)C)ccc1C(=O)NC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
MAPK14 Q16539 1/20 0.45
BRD4 O60885 3/20 0.45
TTK P33981 1/20 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
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL14924112 0.89 KMT2A (0.46) NPC1RAB9ASMN1; SMN2MEN1ALDH1A1
SCHEMBL104350 0.85 TAS1R3 (0.59) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL104343 0.84 HRH3 (0.52) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL104356 0.84 HPGD (0.62) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL104388 0.81 ALDH1A1 (0.56) RAB9ATAS1R3TAS1R1TAS1R2BCHE
SCHEMBL178430 0.81 TAS1R3 (0.66) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL15341542 0.80 NPC1 (0.54) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL105169 0.79 RAB9A (0.57) NPC1RAB9AHPGDTP53EPHX1
SCHEMBL3233932 0.78 NPC1 (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL455691 0.78 RAB9A (0.53) NPC1RAB9ATAS1R3TAS1R1TAS1R2

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 NPC1 1892/4885RAB9A 3030/4885TAS1R3 1218/4885

“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.