SCHEMBL2989147

SCHEMBL2989147

CN(C)CCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.85
PABPC1 P11940 3/20 0.85
POLB P06746 4/20 0.64
RAD52 P43351 2/20 0.64
NR1I2 O75469 1/20 0.64
AHR P35869 1/20 0.64
RCE1 Q9Y256 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.63
S1PR1 P21453 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
RAB9A P51151 1/20 0.63
PAX8 Q06710 1/20 0.63
LCK P06239 1/20 0.63
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CCR6 P51684 1/20 0.58

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
SCHEMBL11441990 0.97 PABPC1 (0.87) FTOPABPC1POLBRAD52NR1I2
Mitonafide SCHEMBL29352711 0.92 FTO (1.00) FTOPABPC1POLBRAD52NR1I2
Mitonafide SCHEMBL62046 0.92 FTO (1.00) FTOPABPC1POLBRAD52NR1I2
Mitonafide SCHEMBL29499462 0.92 FTO (1.00) FTOPABPC1POLBRAD52NR1I2
Mitonafide SCHEMBL5166813 0.91 FTO (0.98) FTOPABPC1POLBRAD52NR1I2
SCHEMBL9501524 0.88 FTO (0.80) FTOPABPC1POLBRAD52NR1I2
SCHEMBL9504075 0.87 FTO (0.87) FTOPABPC1POLBRAD52NR1I2
SCHEMBL14560564 0.86 FTO (0.73) FTOPABPC1POLBRAD52NR1I2
Mitonafide SCHEMBL5781995 0.86 FTO (0.88) FTOPABPC1POLBRAD52NR1I2
SCHEMBL11441587 0.86 PABPC1 (0.72) FTOPABPC1POLBRAD52NR1I2

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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 FTO 364/4885PABPC1 2431/4885POLB 2069/4885

“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.