SCHEMBL2806608

SCHEMBL2806608

O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TYR P14679 1/20 0.49
GRM5 P41594 1/20 0.46
ALOX5 P09917 3/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
ACHE P22303 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
GSK3B P49841 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL9196427 0.82 MEN1 (0.50) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL540147 0.82 ACHE (0.60) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL11259879 0.82 GRM5 (0.60) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL540166 0.82 GRM5 (0.52) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL4047966 0.81 TYR (0.67) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL22776736 0.78 MEN1 (0.43) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL5568191 0.78 MAPT (0.49) MEN1KMT2ARXFP1TYRACHE
SCHEMBL28962650 0.78 GRM5 (0.53) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL30216837 0.78 GRM5 (0.53) MEN1KMT2ARXFP1TYRGRM5
SCHEMBL2570214 0.77 CHRM5 (0.56) ACHEMAPTSMN1; SMN2CASP3

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 3 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

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 2172/4885RXFP1 1177/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP MEN1 3540/4885KMT2A 1816/4885RXFP1 1071/4885

“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.