SCHEMBL2803491

SCHEMBL2803491

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
GAA P10253 2/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL2571458 0.92 KDM4E (0.51) KDM4EGAAPDCD1CD274L3MBTL1
SCHEMBL2568606 0.91 ADRB2 (0.48) KDM4EGAAPDCD1CD274L3MBTL1
SCHEMBL2572703 0.89 KDM4E (0.50) KDM4EGAAPDCD1CD274L3MBTL1
SCHEMBL2572124 0.87 HDAC1 (0.47) KDM4EPDCD1CD274L3MBTL1SMN1; SMN2
SCHEMBL2806556 0.87 KDM4E (0.51) KDM4EGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2572017 0.85 MAPT (0.49) KDM4EPDCD1CD274L3MBTL1SMN1; SMN2
SCHEMBL2573485 0.84 KDM4E (0.50) KDM4EPDCD1CD274SMN1; SMN2ALDH1A1
SCHEMBL2803215 0.82 HDAC1 (0.42) KDM4EPDCD1CD274ALDH1A1HTT
SCHEMBL2809615 0.81 CCR6 (0.46) KDM4EPDCD1CD274L3MBTL1HDAC1
SCHEMBL2568721 0.79 KDM4E (0.57) KDM4EGAACD274L3MBTL1SMN1; 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 3 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

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 KDM4E 3863/4885GAA 1386/4885PDCD1 4665/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP KDM4E 3787/4885GAA 1511/4885PDCD1 4735/4885

“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.