SCHEMBL13611355

SCHEMBL13611355

O=C1C=C(OCCCCCNc2c3ccccc3nc3ccccc23)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
POLB P06746 4/20 0.48
RAD52 P43351 4/20 0.48
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
PTPRC P08575 2/20 0.46
CDC25B P30305 1/20 0.46
TOP2A P11388 3/20 0.46
CACNA2D1 P54289 1/20 0.45
RAB9A P51151 3/20 0.45
SLC2A1 P11166 2/20 0.45
NPC1 O15118 2/20 0.45
KMT2A Q03164 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL14439366 0.83 PTPN1 (0.52) PTPN1POLBPTPRCCDC25BTOP2A
SCHEMBL13611357 0.82 HDAC3 (0.47) PTPN1POLBRAD52ACHEPTPRC
SCHEMBL13624811 0.77 PTPN1 (0.47) PTPN1PTPRCCDC25BTOP2ACACNA2D1
SCHEMBL13856923 0.76 POLB (0.77) POLBRAD52BCHEACHECACNA2D1
SCHEMBL6033155 0.76 POLB (0.77) POLBRAD52BCHEACHECACNA2D1
SCHEMBL4289068 0.76 PTPN1 (0.68) PTPN1PTPRCCDC25BRAB9A
SCHEMBL5578493 0.75 POLB (0.79) POLBRAD52BCHEACHECACNA2D1
SCHEMBL13611359 0.74 PTPN1 (0.69) PTPN1PTPRCCDC25BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL18334834 0.73 POLB (0.72) POLBRAD52BCHEACHECACNA2D1
SCHEMBL5595620 0.73 PTPRC (0.69) PTPN1PTPRCCDC25BALDH1A1

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 8 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-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
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 US disclosed
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 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 3701/4885POLB 161/4885RAD52 1096/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV PTPN1 4034/4885POLB 229/4885RAD52 1451/4885

“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.