SCHEMBL2804939

SCHEMBL2804939

CCN(CCO)CCCOc1cc(CNC(=O)O)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
EGFR P00533 1/20 0.41
KDM4E B2RXH2 4/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
HCRTR2 O43614 1/20 0.39
PLA2G1B P04054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL2803215 0.88 HDAC1 (0.42) AURKAAURKBSCN1ASCN2ASCN3A
SCHEMBL2564130 0.86 KDM4E (0.56) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2808997 0.84 PTPN1 (0.44) SCN1ASCN2ASCN3AALDH1A1KDM4E
SCHEMBL2564333 0.81 CCR6 (0.43) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2567972 0.81 HTT (0.47) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2572146 0.81 ADRB2 (0.54) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2571224 0.80 KDM4E (0.56) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2568721 0.80 KDM4E (0.57) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2571445 0.79 CCR6 (0.45) ALDH1A1HTTLMNAEGFRKDM4E
SCHEMBL2806556 0.78 KDM4E (0.51) ALDH1A1HTTLMNAKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AURKA 3564/4885AURKB 3706/4885SCN1A 1643/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP AURKA 3010/4885AURKB 3124/4885SCN1A 1615/4885

“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.