SCHEMBL2567972

SCHEMBL2567972

O=C(O)NCc1ccc(-c2ccccc2)c(OCCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
EGFR P00533 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 7/20 0.41
CD274 Q9NZQ7 1/20 0.40
GAA P10253 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL2571224 0.86 KDM4E (0.56) HTTL3MBTL1ALDH1A1LMNAEGFR
SCHEMBL2564130 0.85 KDM4E (0.56) HTTALDH1A1LMNAEGFRSMN1; SMN2
SCHEMBL2572124 0.85 HDAC1 (0.47) HTTL3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL2806556 0.84 KDM4E (0.51) HTTL3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL2572146 0.84 ADRB2 (0.54) HTTL3MBTL1ALDH1A1LMNAEGFR
SCHEMBL2568721 0.83 KDM4E (0.57) HTTL3MBTL1ALDH1A1LMNAEGFR
SCHEMBL2571984 0.83 ALDH1A1 (0.42) HTTL3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL2572286 0.82 L3MBTL1 (0.50) HTTL3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL2804939 0.81 AURKA (0.46) HTTL3MBTL1PLA2G1BATG4BALDH1A1
SCHEMBL2571538 0.80 ALDH1A1 (0.51) HTTL3MBTL1ALDH1A1LMNAKDM4E

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 HTT 2709/4885L3MBTL1 483/4885PLA2G1B 2927/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HTT 2629/4885L3MBTL1 342/4885PLA2G1B 2809/4885

“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.