SCHEMBL2569035

SCHEMBL2569035

CN(C)C(=O)c1cccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.57
▸ ATR Q13535 1/20 0.49
▸ EPHX2 P34913 2/20 0.45
▸ NR1H4 Q96RI1 2/20 0.45
▸ NAMPT P43490 2/20 0.45
▸ HPN P05981 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.45
▸ ERN1 O75460 1/20 0.44
▸ FYN P06241 3/20 0.43
▸ SUCNR1 Q9BXA5 1/20 0.43
▸ SDCBP O00560 1/20 0.42
▸ SDC2 P34741 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL2570189 0.87 HDAC1 (0.63) HDAC1EPHX2NR1H4NAMPTHPN
SCHEMBL2574484 0.86 HDAC1 (0.59) HDAC1EPHX2NR1H4NAMPTHPN
SCHEMBL2806364 0.84 ROCK2 (0.53) HDAC1ATRNAMPTERN1
SCHEMBL9726455 0.84 EPHX2 (0.62) HDAC1ATREPHX2NR1H4NAMPT
SCHEMBL2572747 0.83 HDAC1 (0.56) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL2570147 0.82 HDAC1 (0.62) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL1691047 0.81 HDAC1 (0.67) HDAC1EPHX2NR1H4NAMPTL3MBTL1
SCHEMBL31716389 0.81 HDAC1 (0.58) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL3278301 0.81 HDAC1 (0.58) HDAC1NAMPTHPNL3MBTL1SDCBP
SCHEMBL2567487 0.80 HDAC1 (0.50) HDAC1ATRL3MBTL1

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 2556/4885ATR 4514/4885EPHX2 1259/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885ATR 4334/4885EPHX2 942/4885

“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.

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