SCHEMBL4868006

SCHEMBL4868006

CCCCC1CC(CN(O)C=O)(C(=O)NNc2cc(C)ccn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4871749 0.85 ALDH1A1 (0.43) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4873648 0.83 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL4863389 0.81 RAB9A (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4872952 0.81 ALDH1A1 (0.38) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4868134 0.80
SCHEMBL4870615 0.79 GAA (0.36) GAA
SCHEMBL4872963 0.77 SYK (0.37) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL4868025 0.74 NPC1 (0.39) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL4867094 0.72
SCHEMBL1595037 0.70 BMP1 (0.44) KDM4EHPGD

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 ALDH1A1 4302/4885LMNA 2515/4885RAB9A 2101/4885

“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.