SCHEMBL2571978

SCHEMBL2571978

NCc1ccc(-c2cccc(CCCCNC(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MGLL Q99685 2/20 0.51
TGM2 P21980 1/20 0.51
ENPP2 Q13822 1/20 0.50
FAAH O00519 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
MMP13 P45452 1/20 0.48

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
SCHEMBL2571253 0.91 HTT (0.53) HTTMMP2MMP9MGLLTGM2
SCHEMBL30605297 0.88 HTT (0.63) HTTMMP2MMP9TGM2KEAP1
SCHEMBL30605293 0.86 HTT (0.58) HTTMMP2MMP9TGM2KEAP1
SCHEMBL2570407 0.86 MAPT (0.52) HTTMMP2MMP9MGLLTGM2
SCHEMBL30605362 0.85 TGM2 (0.57) HTTMMP2MMP9TGM2KEAP1
SCHEMBL2571482 0.84 L3MBTL1 (0.58) HTTMMP2MMP9MGLLLMNA
SCHEMBL2566852 0.84 L3MBTL1 (0.56) HTTMMP2MMP9MGLLENPP2
SCHEMBL2574008 0.84 HDAC3 (0.47) HTTMMP2MMP9MGLLTGM2
SCHEMBL2809477 0.84 MMP2 (0.48) HTTMMP2MMP9MGLLTGM2
SCHEMBL30605315 0.82 HTT (0.59) HTTMMP2MMP9TGM2KEAP1

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 HTT 2709/4885MMP2 2302/4885MMP9 2284/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HTT 2629/4885MMP2 2690/4885MMP9 2689/4885

“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.