SCHEMBL2551752

SCHEMBL2551752

CCc1cc([N+](=O)[O-])c(NC(C)=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GALR2 O43603 1/20 0.53
MITF O75030 1/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HPGD P15428 1/20 0.53
XBP1 P17861 1/20 0.53
CCR6 P51684 1/20 0.53
RECQL P46063 1/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.49
HTT P42858 3/20 0.48
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL5951632 0.89 KMT2A (0.55) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL29725300 0.85 RECQL (0.57) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL14903460 0.85 RECQL (0.57) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL13183892 0.81 MAPT (0.52) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL10936842 0.81 MAPT (0.55) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5953011 0.80 MAPT (0.51) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL404279 0.80 MAPT (0.51) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL405563 0.80 MAPT (0.51) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL2342408 0.79 POLB (0.53) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5951870 0.78 KMT2A (0.51) KMT2APOLBNPSR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 US disclosed
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (4 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 KMT2A 1678/4885POLB 2261/4885NPSR1 4518/4885
US-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KMT2A 3363/4885POLB 1215/4885NPSR1 4264/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885POLB 2841/4885NPSR1 4412/4885
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 KMT2A 3161/4885POLB 1325/4885NPSR1 482/4885

“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.