SCHEMBL472205

SCHEMBL472205

C1CNCCNCCCNNC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
HIF1A Q16665 1/20 0.50
MAPT P10636 1/20 0.50
PDE4A P27815 1/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA2C P18825 1/20 0.31
CCR2 P41597 1/20 0.31
CXCL12 P48061 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL20523496 0.96
SCHEMBL30338212 0.96 CXCR4 (0.69) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL27902303 0.96 CXCR4 (0.69) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
Piperazine SCHEMBL28322579 0.96 CXCR4 (0.67) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL796635 0.96
SCHEMBL22582300 0.96 CXCR4 (0.67) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL1894089 0.88 CXCR4 (0.57) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL18279383 0.88
SCHEMBL9947670 0.87 CXCR4 (1.00) CXCR4SMN1; SMN2HIF1AMAPTPDE4A
SCHEMBL577659 0.87 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023796-A Wavelength convert component and back light unit 富士胶片株式会社 2019-07-16 CN disclosed
CN-108699299-A Polyolefin resin composite and polyolefin-based resins film 住友精化株式会社 2018-10-23 CN disclosed
CN-108350309-A Aqueous resin coating composition, heat-ray shielding film using same, and method for producing same 株式会社ADEKA 2018-07-31 CN disclosed
CN-105705570-B Coated substrate having improved coating properties 株式会社艾迪科 2018-05-15 CN disclosed
CN-107250256-A Vinyl chloride resin composition 株式会社艾迪科 2017-10-13 CN disclosed
EP-2412729-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2012-02-01 EP disclosed
EP-2399938-A2 Peptide purification by means of hard metal ion affinity chromatography Novo Nordisk A/S (DK) 2011-12-28 EP disclosed
US-20090143529-A1 Peptide purification by means of hard metal ion affinity chromatography HEARN MILTON THOMAS WILLIAM 2009-06-04 US disclosed
EP-1758677-A2 PEPTIDE PURIFICATION BY MEANS OF HARD METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK A/S (DK) 2007-03-07 EP disclosed
WO-2005120700-A2 PEPTIDE PURIFICATION BY MEANS OF HARD METAL ION AFFINITY CHROMATOGRAPHY NOVO NORDISK A/S (DK) 2005-12-22 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-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.