SCHEMBL4287153

SCHEMBL4287153

C1CNCCCNCCNCCCNC1.C1CNCCNCCCNCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 0.67
MAPT P10636 1/20 0.67
PDE4A P27815 1/20 0.67
KDR P35968 1/20 0.67
ALDH1A1 P00352 1/20 0.64
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 1/20 0.35
CXCL12 P48061 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL22199 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL3769649 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL33477 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL8503965 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL3998680 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL18585750 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL576838 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL9947670 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL577659 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL935211 1.00 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A

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-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 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-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography MAX, PTMS, SLC7A1 CXCR4 1801/4885SMN1; SMN2 3612/4885HIF1A 1822/4885

“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.