SCHEMBL6449064

SCHEMBL6449064

COc1ccccc1C(=O)NNC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
STAT3 P40763 1/20 0.65
RAB9A P51151 7/20 0.63
GAA P10253 3/20 0.62
LMNA P02545 4/20 0.60
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
MAOB P27338 1/20 0.56
CTSD P07339 1/20 0.55
HSP90AA1 P07900 1/20 0.54
AGTR1 P30556 1/20 0.54

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
SCHEMBL9830646 0.85 GAA (0.75) SMN1; SMN2RAB9AGAALMNAPOLB
SCHEMBL6467701 0.84 SMN1; SMN2 (0.54) NPC1SMN1; SMN2STAT3RAB9AGAA
SCHEMBL6449862 0.80 GAA (0.62) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL6453448 0.80 NPC1 (1.00) NPC1SMN1; SMN2STAT3RAB9AGAA
SCHEMBL6470094 0.78 LMNA (0.53) NPC1SMN1; SMN2STAT3RAB9AGAA
SCHEMBL6469344 0.78 HSP90AA1 (0.79) NPC1SMN1; SMN2STAT3RAB9ALMNA
SCHEMBL12857990 0.78 STAT3 (0.73) NPC1SMN1; SMN2STAT3RAB9AGAA
SCHEMBL6454315 0.78 KAT6A (0.65) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL6450629 0.78 GAA (0.64) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL22340646 0.77 RXFP1 (0.60) NPC1RAB9AGAAPOLB

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC NPC1 59/4885SMN1; SMN2 4633/4885STAT3 1567/4885

“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.