SCHEMBL4069624

SCHEMBL4069624

CC(=O)Nc1nc(C)c([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GDA Q9Y2T3 1/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL15325124 0.84 GDA (0.43) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL18658580 0.79 GDA (0.39) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL4069622 0.79 KMT2A (0.40) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL24802600 0.77 ADORA3 (0.56) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL16466807 0.73 KMT2A (0.36) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL18257489 0.72 GDA (0.34) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL16488194 0.72 KMT2A (0.36) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL16488189 0.72 GDA (0.34) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL18658555 0.72 KMT2A (0.36) POLBALOX15ALDH1A1TDP1ADORA3
SCHEMBL15325115 0.72 GDA (0.34) POLBALOX15ALDH1A1TDP1ADORA3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837629-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LABORATORIES (TIANJIN) CO LTD (CN) 2017-03-22 EP disclosed
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 EP disclosed
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 EP disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 US disclosed
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-07-12 US disclosed
US-7211677-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2007-05-01 US disclosed
US-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-7022852-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2006-04-04 US disclosed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-6693193-B1 COUPLING AN N- AND O-PROTECTED 2,3-DIHYDROXY-PYRROLIDINE TO THE 2-POSITION AND DEPROTECTING INDUSTRIAL RESEARCH LIMITED (NZ) 2004-02-17 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 (3 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-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism UGT1A3, AGL, PNP POLB 217/4885ALOX15 3821/4885ALDH1A1 2979/4885
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism XDH, PNP, AGL POLB 345/4885ALOX15 2366/4885ALDH1A1 1853/4885
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism PNP, UGT1A3, AGL POLB 157/4885ALOX15 3452/4885ALDH1A1 2849/4885

“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.