SCHEMBL4048642

SCHEMBL4048642

[NH]c1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
AKR1B1 P15121 1/20 0.36
S100A4 P26447 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL27732124 0.82 KMT2A (0.41) ERN1KMT2AMEN1POLBPKM
SCHEMBL29600703 0.80 ERN1 (0.41) ERN1KMT2AMEN1POLBPKM
SCHEMBL6512051 0.80 ERN1 (0.41) ERN1KMT2AMEN1POLBPKM
SCHEMBL202290 0.80 ERN1 (0.41) ERN1KMT2AMEN1POLBPKM
SCHEMBL7039360 0.77 ERN1 (0.39) ERN1KMT2AMEN1POLBPKM
SCHEMBL422756 0.77 ERN1 (0.39) ERN1KMT2AMEN1POLBPKM
SCHEMBL202907 0.77 ERN1 (0.46) ERN1KMT2AMEN1POLBPKM
SCHEMBL742711 0.77 CYP1A2 (0.43) ERN1KMT2AMEN1POLBPKM
SCHEMBL203876 0.77 KMT2A (0.50) ERN1KMT2AMEN1POLBPKM
SCHEMBL16095369 0.77 ERN1 (0.39) ERN1KMT2AMEN1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US claimed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 US claimed
US-7547713-B2 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2009-06-16 US disclosed
US-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives GU LIANQUAN 2006-05-25 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-20060111405-A1 O-pyridinequinone derivatives, the composition containing the derivatives, the process for preparation of the derivatives and the use of the derivatives PTGS2, PTGES2, PTGES ERN1 4057/4885KMT2A 2390/4885MEN1 4566/4885

“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.