SCHEMBL6399598

SCHEMBL6399598

O=[N+]([O-])Nc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
MDM2 Q00987 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Nitroanilide SCHEMBL5718352 0.77 L3MBTL1 (0.50) CTSDSMN1; SMN2GAAALDH1A1MAPT
SCHEMBL31732365 0.77 ALDH1A1 (0.38) SMN1; SMN2GAAHTTALDH1A1MAPT
Nitroanilide SCHEMBL6001 0.77 L3MBTL1 (0.50) CTSDSMN1; SMN2GAAALDH1A1MAPT
SCHEMBL578924 0.76 CYP11B1 (0.50) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
Nitroanilide SCHEMBL29021277 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT
Nitroanilide SCHEMBL4541850 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT
Nitroanilide SCHEMBL29195338 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT
Nitroanilide SCHEMBL3094185 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT
Nitroanilide SCHEMBL20876421 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT
Nitroanilide SCHEMBL30436028 0.75 L3MBTL1 (0.48) CTSDSMN1; SMN2GAAALDH1A1MAPT

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-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 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 (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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA CTSD 1725/4885MDM2 3091/4885SMN1; SMN2 2480/4885

“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.