SCHEMBL12426129

SCHEMBL12426129

O=C1c2ccccc2C(=O)N1C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
SOS1 Q07889 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
XDH P47989 1/20 0.45
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL12426118 0.79 CASP3 (0.45) CYP1A2CYP2D6CYP2C19CYP3A4MAPT
SCHEMBL12426130 0.78 SCN2A (0.53) MAPTALDH1A1MAOB
SCHEMBL12425709 0.77 NFE2L2 (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL12426111 0.76 NFE2L2 (0.47) ALDH1A1
SCHEMBL12426300 0.76 CASP3 (0.45) ALDH1A1
SCHEMBL12425713 0.76 CASP3 (0.45) ALDH1A1
SCHEMBL10723362 0.76 CASP3 (0.45) MAPTALDH1A1
SCHEMBL12425712 0.76 CASP3 (0.45) MAPTALDH1A1
SCHEMBL12426109 0.76 NR1H2 (0.56) CYP1A2CYP2C19KMT2AMEN1ALDH1A1
SCHEMBL10398562 0.75 CASP3 (0.47) ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 CYP1A2 4659/4885CYP2D6 4674/4885CYP2C9 4560/4885

“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.