SCHEMBL2033579

SCHEMBL2033579

O=[N+]([O-])c1cc(CN2CCCCC2)ccc1NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.60
MAPT P10636 7/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 5/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 3/20 0.56
HCAR3 P49019 3/20 0.55
LMNA P02545 3/20 0.55
WNK1 Q9H4A3 2/20 0.52
L3MBTL1 Q9Y468 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL20985374 0.88 MAPK1 (0.56) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL20985373 0.88 MAPK1 (0.56) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL21025998 0.83 ALDH1A1 (0.49) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL29313717 0.83 ALDH1A1 (0.49) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL5238053 0.82 L3MBTL1 (0.57) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL1924259 0.82 HCAR3 (0.64) MAPK1MAPTALDH1A1NPSR1HCAR3
SCHEMBL2319014 0.81 MAPT (0.56) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL14754098 0.81 HCAR3 (0.61) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL9525323 0.80 ALDH1A1 (0.55) MAPK1MAPTPKMRAB9AALDH1A1
SCHEMBL14050240 0.80 HCAR3 (0.54) MAPK1MAPTALDH1A1NPSR1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293923-B2 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2012-10-23 US disclosed
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase BIOGEN IDEC MA INC. (US) 2011-06-23 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
EP-2061786-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE Biogen Idec MA Inc. (US) 2009-05-27 EP disclosed
WO-2008030584-A2 INDAZOLE DERIVATIVES AS MODULATORS OF INTERLEUKIN- 1 RECEPTOR-ASSOCIATED KINASE BIOGEN IDEC MA INC. (US) 2008-03-13 WO disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 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 (3 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-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 MAPK1 402/4885MAPT 2419/4885PKM 1500/4885
US-20110152260-A1 Indazole derivatives as modulators of interleukin-1 receptor-associated kinase IRAK1, IRAK2, IRAK3 MAPK1 95/4885MAPT 1349/4885PKM 767/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 MAPK1 1092/4885MAPT 2784/4885PKM 651/4885

“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.