SCHEMBL2573003

SCHEMBL2573003

CCN(CC)CCCOc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
BIRC5 O15392 1/20 0.46
CSNK2A1 P68400 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR7 P34969 1/20 0.43
ATP4A P20648 2/20 0.42
ATP4B P51164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL2808997 0.93 PTPN1 (0.44) PTPN1SCN1ASCN2ASCN3ABIRC5
SCHEMBL2572049 0.87 HTR7 (0.55) PTPN1CSNK2A1ALDH1A1HTR7KDM4E
SCHEMBL2567305 0.79 PTGDR2 (0.43) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL2567891 0.79 KDM4E (0.52) CSNK2A1KDM4ETP53MAPK1RAB9A
SCHEMBL3858077 0.79 BIRC5 (0.57) BIRC5CSNK2A1ALDH1A1KDM4ETDP1
SCHEMBL7374934 0.79 BIRC5 (0.57) BIRC5CSNK2A1ALDH1A1KDM4ETDP1
SCHEMBL2570181 0.79 CYP19A1 (0.54) PTPN1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL11020097 0.78 ALDH1A1 (0.55) PTPN1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL2570251 0.76 CSNK2A1 (0.47) CSNK2A1TDP1TP53MAPK1RAB9A
SCHEMBL2804939 0.76 AURKA (0.46) PTPN1SCN1ASCN2ASCN3AALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 PTPN1 1677/4885SCN1A 1643/4885SCN2A 2036/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP PTPN1 1833/4885SCN1A 1615/4885SCN2A 2007/4885

“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.