SCHEMBL2806556

SCHEMBL2806556

O=C(O)NCc1ccc(-c2ccccc2)c(OCCCNCCCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.41

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
SCHEMBL2568721 0.90 KDM4E (0.57) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2572146 0.89 ADRB2 (0.54) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2803491 0.87 KDM4E (0.47) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2571224 0.86 KDM4E (0.56) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2567972 0.84 HTT (0.47) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2571984 0.83 ALDH1A1 (0.42) KDM4EGAASMN1; SMN2HTTL3MBTL1
SCHEMBL2572286 0.81 L3MBTL1 (0.50) SMN1; SMN2HTTL3MBTL1ALDH1A1PLA2G1B
SCHEMBL2564130 0.81 KDM4E (0.56) KDM4ESMN1; SMN2HTTALDH1A1LMNA
SCHEMBL2567831 0.79 CCR6 (0.51) KDM4ESMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL2804939 0.78 AURKA (0.46) KDM4ESMN1; SMN2HTTL3MBTL1ALDH1A1

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 KDM4E 3863/4885GAA 1386/4885SMN1; SMN2 3644/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP KDM4E 3787/4885GAA 1511/4885SMN1; SMN2 4154/4885

“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.