SCHEMBL7906086

SCHEMBL7906086

CCCNCCOc1ccc(C(=O)NC=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.54
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ GAA P10253 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
SCHEMBL7919711 0.90 NPC1 (0.52) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12966671 0.85 NPC1 (0.54) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7916855 0.83 PLK1 (0.57) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7919709 0.82 MAPT (0.57) PLK1NPC1RAB9AMAPTMEN1
SCHEMBL30969225 0.82 TSHR (0.65) —
SCHEMBL7915808 0.82 PLK1 (0.67) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL30969268 0.81 MAPT (0.70) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4173888 0.81 PARP10 (0.60) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7906084 0.80 GAA (0.54) PLK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12966676 0.79 PLK1 (0.47) PLK1NPC1MAPT

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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 — — US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — WO 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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 PLK1 3708/4885NPC1 3681/4885RAB9A 2487/4885

“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.

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