SCHEMBL2804971

SCHEMBL2804971

CNc1ccc(-c2cccc(NC(=O)CCNC(=O)OCc3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.62
ENPP2 Q13822 3/20 0.57
ITGB3 P05106 1/20 0.55
ITGAV P06756 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CACNA1H O95180 1/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL2573590 0.88 MGLL (0.63) MGLLENPP2ITGB3ITGAVMEN1
SCHEMBL2567924 0.82 MGLL (0.54) MGLLENPP2ITGB3ITGAVMEN1
SCHEMBL6783051 0.77 ROCK2 (0.52) MGLLENPP2MEN1KMT2AL3MBTL1
SCHEMBL9866050 0.76 GAA (0.54) MGLLMEN1KMT2AL3MBTL1CACNA1H
SCHEMBL6387882 0.76 HTT (0.57) MEN1KMT2AL3MBTL1HDAC1HDAC6
SCHEMBL6431191 0.75 HTT (0.64) MEN1KMT2AL3MBTL1HDAC1HDAC6
SCHEMBL15648038 0.74 MGLL (0.72) MGLLENPP2LMNASMN1; SMN2
SCHEMBL9879968 0.74 HTT (0.60) MGLLMEN1KMT2AHTTLMNA
SCHEMBL14430550 0.74 KMT2A (0.65) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2569063 0.74 MGLL (0.85) MGLLENPP2

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 MGLL 1922/4885ENPP2 878/4885ITGB3 4678/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MGLL 1830/4885ENPP2 836/4885ITGB3 4843/4885

“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.