SCHEMBL2570147

SCHEMBL2570147

CC(C)(C)OC(=O)NCc1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HPN P05981 1/20 0.48
NAMPT P43490 2/20 0.47
GAA P10253 1/20 0.47
NQO2 P16083 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SDCBP O00560 1/20 0.46
SDC2 P34741 1/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
KDM4A O75164 1/20 0.44
EGFR P00533 2/20 0.44
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
EPHX1 P07099 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
SCHEMBL2572109 0.91 HDAC1 (0.52) HDAC1NAMPTGAANQO2CTSS
SCHEMBL3278182 0.87 NQO2 (0.56) HDAC1NAMPTNQO2CTSSCTSK
SCHEMBL2568359 0.87 HDAC1 (0.56) HDAC1HPNNQO2CTSSCTSK
SCHEMBL2567630 0.86 HDAC1 (0.57) HDAC1HPNNAMPTGAAL3MBTL1
SCHEMBL1691047 0.86 HDAC1 (0.67) HDAC1NAMPTGAAL3MBTL1SDCBP
SCHEMBL31716389 0.86 HDAC1 (0.58) HDAC1HPNNAMPTGAAL3MBTL1
SCHEMBL3278301 0.86 HDAC1 (0.58) HDAC1HPNNAMPTGAAL3MBTL1
SCHEMBL30151702 0.85 GLS (0.52) HDAC1NAMPTGAANQO2CYP3A4
SCHEMBL1111369 0.85 GLS (0.52) HDAC1NAMPTGAANQO2CYP3A4
SCHEMBL30504293 0.85 HDAC1 (0.56) HDAC1NAMPTCTSSCTSKCTSB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3349581-B1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2021-12-01 EP disclosed
US-10766890-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2020-09-08 US disclosed
WO-2017048962-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
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-7700605-B2 2-cyano-pyrimidines and-triazines as cysteine protease inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors FLOHR STEFANIE 2008-09-04 US disclosed
EP-1907368-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS Novartis AG (CH) 2008-04-09 EP 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
WO-2007009715-A1 2-CYANO-PYRIMIDINES AND -TRIAZINES AS CYSTEINE PROTEASE INHIBITORS NOVARTIS AG (CH) 2007-01-25 WO 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 (4 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 2556/4885HPN 920/4885NAMPT 45/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC1 2720/4885HPN 842/4885NAMPT 81/4885
US-20080214548-A1 2-Cyano-Pyrimidines and-Triazines as Cysteine Protease Inhibitors USP2, UCHL3, UCHL5 HDAC1 1790/4885HPN 494/4885NAMPT 2605/4885
US-10766890-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HDAC1 2819/4885HPN 113/4885NAMPT 1790/4885

“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.