SCHEMBL2572124

SCHEMBL2572124

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
EGFR P00533 1/20 0.42
GRM2 Q14416 1/20 0.42
HTT P42858 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 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
SCHEMBL2572703 0.89 KDM4E (0.50) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2573485 0.89 KDM4E (0.50) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2568606 0.88 ADRB2 (0.48) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2571458 0.87 KDM4E (0.51) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2803491 0.87 KDM4E (0.47) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2572017 0.85 MAPT (0.49) PDCD1CD274HTTL3MBTL1LMNA
SCHEMBL2567972 0.85 HTT (0.47) CD274EGFRHTTL3MBTL1PLA2G1B
SCHEMBL2803215 0.84 HDAC1 (0.42) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL14832994 0.83 HDAC1 (0.49) HDAC1PDCD1CD274BRD4CREBBP
SCHEMBL2808117 0.83 ALDH1A1 (0.46) PDCD1CD274HTTL3MBTL1ALDH1A1

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 HDAC1 2556/4885PDCD1 4665/4885CD274 4827/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885PDCD1 4735/4885CD274 4848/4885

“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.