SCHEMBL4868485

SCHEMBL4868485

CC1CCC(C(C(=O)NNc2cncc(-c3ccco3)n2)N(O)C=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.34
ADORA2B P29275 13/20 0.34
ADORA1 P30542 13/20 0.34
ADORA3 P0DMS8 11/20 0.34
MAPT P10636 1/20 0.34
PTPN7 P35236 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATR Q13535 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FYN P06241 1/20 0.31

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
SCHEMBL4868451 0.76 ADORA2A (0.32) ADORA2AADORA2BADORA1ADORA3MAPT
SCHEMBL4868442 0.76 ADORA2A (0.32) ADORA2AADORA2BADORA1ADORA3MAPT
SCHEMBL4862605 0.74 ABL1 (0.42)
SCHEMBL4867247 0.72 SYK (0.38) MAPTRAB9A
SCHEMBL4866392 0.71 POLB (0.36) NPC1RAB9A
SCHEMBL4872772 0.70
SCHEMBL4870902 0.69
SCHEMBL4864629 0.69 GAA (0.41) MAPT
SCHEMBL4862478 0.67 SRC (0.33)
SCHEMBL4870558 0.67 LMNA (0.34) MAPTCYP3A4CYP2D6CYP2C9NPC1

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-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ADORA2A 4169/4885ADORA2B 3311/4885ADORA1 4223/4885

“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.