SCHEMBL13624811

SCHEMBL13624811

CSN(CCCCCOC1=CC(=O)C(=O)c2ccccc21)c1c2ccccc2nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.47
PTPRC P08575 2/20 0.44
CDC25B P30305 1/20 0.44
CES1 P23141 6/20 0.37
CES2 O00748 5/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MALT1 Q9UDY8 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
ELANE P08246 1/20 0.32
CACNA2D1 P54289 1/20 0.32
TOP2A P11388 1/20 0.32

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
SCHEMBL13611355 0.77 PTPN1 (0.52) PTPN1PTPRCCDC25BALDH1A1LMNA
SCHEMBL14439366 0.72 PTPN1 (0.52) PTPN1PTPRCCDC25BALDH1A1LMNA
SCHEMBL13624812 0.72 CACNA2D1 (0.42) ALDH1A1L3MBTL1ELANECACNA2D1
SCHEMBL5595620 0.71 PTPRC (0.69) PTPN1PTPRCCDC25BCES1CES2
SCHEMBL4289068 0.71 PTPN1 (0.68) PTPN1PTPRCCDC25BCES1CES2
SCHEMBL13611357 0.71 HDAC3 (0.47) PTPN1PTPRCCDC25BLMNAL3MBTL1
SCHEMBL5595746 0.71 PTPRC (0.69) PTPN1PTPRCCDC25BCES1CES2
SCHEMBL4294847 0.70 PTPRC (0.71) PTPN1PTPRCCDC25BCES1CES2
SCHEMBL13611359 0.70 PTPN1 (0.69) PTPN1PTPRCCDC25BCES1CES2
SCHEMBL4291302 0.69 PTPN1 (0.88) PTPN1PTPRCCDC25BCES1CES2

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-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 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 (2 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-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 PTPN1 3701/4885PTPRC 1472/4885CDC25B 190/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV PTPN1 4034/4885PTPRC 1675/4885CDC25B 511/4885

“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.