SCHEMBL2574008

SCHEMBL2574008

O=C(NCCCCc1cccc(-c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ASAH1 Q13510 1/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
HTT P42858 1/20 0.46
TPSAB1 Q15661 3/20 0.45
TPSD1 Q9BZJ3 3/20 0.45
TPSG1 Q9NRR2 3/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL2573386 0.88 MMP2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2571253 0.84 HTT (0.53) MMP2MMP9HTTTGM2MGLL
SCHEMBL2571978 0.84 HTT (0.53) HDAC1HDAC2MMP2MMP9HTT
SCHEMBL2567924 0.82 MGLL (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1206224 0.82 ACHE (0.55) HTTTPSAB1TPSD1TPSG1PLG
SCHEMBL966830 0.81 TDP1 (0.60) ASAH1HTTTPSAB1TPSD1TPSG1
SCHEMBL30605297 0.81 HTT (0.63) HDAC1HDAC2MMP2MMP9HTT
SCHEMBL2809477 0.77 MMP2 (0.48) MMP2MMP9HTTTGM2MGLL
SCHEMBL30605315 0.76 HTT (0.59) MMP2MMP9HTTTGM2
SCHEMBL2807655 0.76 MEN1 (0.48) HDAC1HDAC2HTTTPSAB1TPSD1

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 HDAC3 3486/4885HDAC4 3602/4885HDAC1 2556/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HDAC3 3651/4885HDAC4 3712/4885HDAC1 2720/4885

“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.