SCHEMBL404366

SCHEMBL404366

CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.72
SMN1; SMN2 Q16637 8/20 0.72
RAB9A P51151 5/20 0.72
TP53 P04637 3/20 0.72
NFKB1 P19838 1/20 0.72
NFKB2 Q00653 1/20 0.72
RELA Q04206 1/20 0.72
LMNA P02545 4/20 0.70
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
KCNK3 O14649 2/20 0.64
NR1H4 Q96RI1 2/20 0.63
PKM P14618 1/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
SCN2A Q99250 1/20 0.61
SCN10A Q9Y5Y9 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL405087 0.85 NPC1 (0.69) NPC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL4121731 0.84 MAPT (0.72) NPC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL259430 0.84 NPC1 (1.00) NPC1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL10294777 0.84 NPC1 (0.79) NPC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL6579950 0.83 NPC1 (0.73) NPC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL8361562 0.82 NPC1 (0.78) NPC1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL259706 0.82 MEN1 (0.77) NPC1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL14632524 0.82 NPC1 (0.74) NPC1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL13719121 0.81 MEN1 (0.67) NPC1SMN1; SMN2RAB9ATP53NFKB1
SCHEMBL14372400 0.81 CA1 (0.66) NPC1SMN1; SMN2RAB9ATP53LMNA

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-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION DISCOVERYBIOMED, INC. (US) 2012-03-15 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-20120065247-A1 MODULATING IRES-MEDIATED TRANSLATION EIF2AK2, EIF4EBP1, EIF4E NPC1 2519/4885SMN1; SMN2 1695/4885RAB9A 2106/4885

“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.