SCHEMBL5880913

SCHEMBL5880913

Cn1c(COc2ccc(CCC(=O)C3CCCC3)cc2)nc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALOX5 P09917 1/20 0.56
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE10A Q9Y233 1/20 0.47
MAPT P10636 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL3988138 0.77 FFAR1 (0.65) RAB9ATP53SMN1; SMN2
SCHEMBL8008459 0.76 FFAR1 (0.63) RAB9ATP53SMN1; SMN2
SCHEMBL4725005 0.75 RAB9A (0.75) NPC1RAB9ATP53SMN1; SMN2PDE10A
SCHEMBL6800275 0.74 RAB9A (0.69) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2247920 0.74 RAB9A (1.00) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL5880916 0.73 RAB9A (0.45) NPC1RAB9AALOX5TP53SMN1; SMN2
SCHEMBL4763335 0.73 RAB9A (0.67) NPC1RAB9ATP53SMN1; SMN2PDE10A
SCHEMBL2247503 0.73 RAB9A (0.81) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4026213 0.72 RAB9A (0.59) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2245364 0.72 RAB9A (0.78) NPC1RAB9ATP53SMN1; SMN2MAPT

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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 NPC1 694/4885RAB9A 3754/4885ALOX5 2756/4885

“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.