SCHEMBL7044554

SCHEMBL7044554

Cc1nc(-c2nc(N[C@@H]3CCCC[C@H]3C)nc(C)c2[N+](=O)[O-])c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 8/20 0.34
NPSR1 Q6W5P4 4/20 0.34
MAPK1 P28482 3/20 0.34
ATM Q13315 3/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 8/20 0.33
MEN1 O00255 7/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
HSP90AA1 P07900 2/20 0.32

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
SCHEMBL7046695 1.00 ALDH1A1 (0.34) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL7101569 0.86 KMT2A (0.43) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL7041989 0.85 KMT2A (0.45) ALDH1A1MAPTNPSR1MAPK1ATM
SCHEMBL7047413 0.78 PTGS2 (0.37) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6692314 0.72 GRIA1 (0.36) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL6859816 0.72 SYK (0.36) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL6960039 0.72 GRIA1 (0.36) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL6692310 0.72 GRIA1 (0.36) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL6696921 0.72 SYK (0.36) ALDH1A1POLBMAPTNPSR1MAPK1
SCHEMBL6693074 0.72 SYK (0.36) ALDH1A1POLBMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130264-A1 Methods of using pyrimidine-based antiviral agents TULARIK INC. (US) 2003-07-10 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-20030130264-A1 Methods of using pyrimidine-based antiviral agents TYMP, TYMS, NUDT1 ALDH1A1 2001/4885POLB 158/4885MAPT 2656/4885

“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.