SCHEMBL4069622

SCHEMBL4069622

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.38
GDA Q9Y2T3 1/20 0.38
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HTR6 P50406 2/20 0.35
CYP1A2 P05177 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL4069624 0.79 POLB (0.48) KMT2AADORA3MAPTGAAKDM4E
SCHEMBL15325124 0.75 GDA (0.43) KMT2AADORA3MAPTGAAKDM4E
SCHEMBL8010010 0.73 RAB9A (0.50) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL216305 0.71 ALDH1A1 (0.48) KMT2AADORA3GAAKDM4EALDH1A1
SCHEMBL18658580 0.71 GDA (0.39) KMT2AADORA3MAPTGAAKDM4E
SCHEMBL4070047 0.70 TYMS (0.38) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL8131346 0.67 MAPT (0.54) KMT2AMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL8016483 0.65 HTR6 (0.57) ADORA3MAPTGAAKDM4EALDH1A1
SCHEMBL5866615 0.65 MAPT (0.47) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL24802600 0.64 ADORA3 (0.56) KMT2AADORA3MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 2307/4885ADORA3 219/4885MAPT 2226/4885
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism XDH, PNP, AGL KMT2A 2217/4885ADORA3 445/4885MAPT 2515/4885
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism PNP, UGT1A3, AGL KMT2A 2714/4885ADORA3 194/4885MAPT 1979/4885

“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.