SCHEMBL6314836

SCHEMBL6314836

N=CNC(=O)c1nc[nH]c1N

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.36
GDA Q9Y2T3 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL19018643 0.79 GAA (0.51) GAAGDAL3MBTL1TDP1ALDH1A1
SCHEMBL9576486 0.76 SMN1; SMN2 (0.46) GAAGDAL3MBTL1TDP1ALDH1A1
SCHEMBL3258892 0.74 GDA (0.43) GAAGDAL3MBTL1TDP1ALDH1A1
SCHEMBL1560676 0.74 GDA (0.41) GAAGDAL3MBTL1TDP1ALDH1A1
SCHEMBL71570 0.72
SCHEMBL8024 0.72
SCHEMBL3536595 0.71 GAA (0.37) GAAGDAL3MBTL1TDP1MAPT
SCHEMBL9576447 0.71 SMN1; SMN2 (0.45) GAAL3MBTL1TDP1ALDH1A1MAPT
SCHEMBL25275928 0.71 GDA (0.50) GAAGDAL3MBTL1TDP1ALDH1A1
SCHEMBL13176680 0.71

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
US-20050142113-A1 Antimicrobial agents, diagnostic reagents, and vaccines based on unique apicomplexan parasite components MCLEOD RIMA I (US) 2005-06-30 US disclosed
US-6855867-B1 Plant glutamine amidotransferase homologs E.I. DU PONT DE NEMOURS AND COMPANY 2005-02-15 US disclosed
US-6699654-B1 USING INHIBITORS OF PLANT-LIKE METABOLIC PATHWAYS (NOT ASSOCIATED WITH ANIMALS, NOT ENCODED IN THE PLASTID GENOME, NOT INCLUDING PSBA OR PPI PHOSPHOFRUCTOKINASE) TO DEVELOP THE PARASITICIDE; GABACULINE AND SULFADIAZINE MRJ TRUST C/O MARK E. RUST 2004-03-02 US disclosed
US-20030167509-A1 Comprises imidazoleglycerol-phosphate dehydratase activity; herbicides; fungicides ALLEN STEPHEN M (US) 2003-09-04 US disclosed
US-20030121072-A1 Plant histidinol-phosphate aminotransferase homologs ALLEN STEPHEN M (US) 2003-06-26 US disclosed
US-20030082787-A1 Plant histidine biosynthetic enzymes E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-01 US disclosed
US-6525244-B1 Nucleic acid fragments encoding a histidine biosynthetic enzyme transduced into plants and seeds E. I. DU PONT DE NEMOURS AND COMPANY 2003-02-25 US disclosed
US-6441271-B1 ISOLATED POLYNUCLEOTIDE E. I. DU PONT DE NEMOURS AND COMPANY 2002-08-27 US disclosed
EP-1127144-A2 PLANT GLUTAMINE AMIDOTRANSFERASE HOMOLOGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-29 EP disclosed
WO-2000028053-A2 PLANT GLUTAMINE AMIDOTRANSFERASE HOMOLOGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-18 WO 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 (1 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-20050142113-A1 Antimicrobial agents, diagnostic reagents, and vaccines based on unique apicomplexan parasite components POLRMT, PCK1, PSAT1 GAA 1000/4885GDA 639/4885L3MBTL1 2074/4885

“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.