SCHEMBL2808117

SCHEMBL2808117

CC(C)(C)OC(=O)NCc1ccc(-c2ccccc2)c(OCCCN2CCC(O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 6/20 0.45
PDCD1 Q15116 1/20 0.45
VSIR Q9H7M9 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
KDM4E B2RXH2 5/20 0.45
PKM P14618 1/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL2571538 0.88 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL2572124 0.83 HDAC1 (0.47) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL2572703 0.81 KDM4E (0.50) ALDH1A1MEN1KMT2AL3MBTL1PDCD1
SCHEMBL2573485 0.80 KDM4E (0.50) ALDH1A1PDCD1CD274KDM4EHRH1
SCHEMBL2568606 0.79 ADRB2 (0.48) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL2803491 0.79 KDM4E (0.47) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL2571458 0.79 KDM4E (0.51) ALDH1A1MEN1KMT2AHTTL3MBTL1
SCHEMBL2806699 0.79 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPK1HTT
SCHEMBL2572017 0.77 MAPT (0.49) MEN1KMT2AMAPK1HTTL3MBTL1
SCHEMBL2803215 0.76 HDAC1 (0.42) ALDH1A1HTTPDCD1CD274KDM4E

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 ALDH1A1 1093/4885MEN1 3310/4885KMT2A 2172/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP ALDH1A1 1206/4885MEN1 3540/4885KMT2A 1816/4885

“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.