SCHEMBL5350139

SCHEMBL5350139

CNc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HSPB1 P04792 2/20 0.50
HCAR3 P49019 1/20 0.50
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MYOC Q99972 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SRD5A2 P31213 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
SCHEMBL6522547 0.92 HCAR3 (0.57) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL1192825 0.84 MEN1 (0.55) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10902768 0.83 KMT2A (0.57) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL365880 0.82 MAPT (0.60) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL430629 0.81 MAPT (0.59) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL13559522 0.79 HCAR3 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL13211382 0.79 MAPT (0.53) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL4326964 0.78 HCAR3 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL554702 0.78 TDP1 (0.65) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL29552608 0.78 TDP1 (0.65) MEN1KMT2APOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 MEN1 760/4885KMT2A 165/4885POLB 1477/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MEN1 760/4885KMT2A 165/4885POLB 1477/4885

“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.