SCHEMBL2806699

SCHEMBL2806699

NCc1ccc(-c2ccccc2)c(OCCCN2CCC(O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SIGMAR1 Q99720 7/20 0.52
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.47
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL2567172 0.88 ALDH1A1 (0.60) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2571553 0.87 KDM4E (0.61) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2571538 0.84 ALDH1A1 (0.51) MEN1KMT2ASIGMAR1ALDH1A1HTT
SCHEMBL2806702 0.81 MEN1 (0.51) MEN1KMT2ASIGMAR1ALDH1A1HTT
SCHEMBL2808117 0.79 ALDH1A1 (0.46) MEN1KMT2ASIGMAR1ALDH1A1HTT
SCHEMBL2570251 0.74 CSNK2A1 (0.47) L3MBTL1MAPK1LMNA
SCHEMBL2572049 0.72 HTR7 (0.55) ALDH1A1KDM4EMAPK1
SCHEMBL2567891 0.72 KDM4E (0.52) L3MBTL1KDM4EMAPK1LMNA
SCHEMBL11253842 0.71 HRH1 (0.57) MEN1KMT2ASIGMAR1L3MBTL1HRH3
SCHEMBL2573344 0.70 CSNK2A1 (0.54)

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 MEN1 3310/4885KMT2A 2172/4885SIGMAR1 1595/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MEN1 3540/4885KMT2A 1816/4885SIGMAR1 1828/4885

“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.