SCHEMBL3598210

SCHEMBL3598210

O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccs1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.85
HSD17B10 Q99714 3/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ITK Q08881 1/20 0.68
KDM4E B2RXH2 5/20 0.67
NPSR1 Q6W5P4 3/20 0.67
TSHR P16473 4/20 0.67
MAPT P10636 3/20 0.67
HTT P42858 3/20 0.67
MTOR P42345 1/20 0.60
IRAK1 P51617 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60
OPRM1 P35372 5/20 0.60
OPRD1 P41143 5/20 0.60
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58

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
SCHEMBL6499836 0.80 KDM4E (0.74) OPRK1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL6530642 0.80 KDM4E (1.00) OPRK1HSD17B10CASP1CASP7L3MBTL1
Hydrochloric Acid SCHEMBL6929904 0.79 KDM4E (0.72) OPRK1ITKKDM4ENPSR1TSHR
SCHEMBL13500597 0.78 HSD17B10 (0.66) OPRK1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL16261073 0.78 MTOR (0.74) OPRK1HSD17B10CASP1CASP7L3MBTL1
Dimethylamine SCHEMBL6929910 0.78 KDM4E (0.93) OPRK1ITKKDM4ENPSR1TSHR
SCHEMBL6529303 0.77 KDM4E (0.69) OPRK1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL13500540 0.77 OPRK1 (0.86) OPRK1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL3600804 0.76 NPC1 (0.69) OPRK1HSD17B10CASP1CASP7L3MBTL1
SCHEMBL3600001 0.76 MTOR (0.70) OPRK1HSD17B10CASP1CASP7L3MBTL1

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-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
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-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
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-7132438-B2 Benzimidazole derivatives AMGEN INC. (US) 2006-11-07 US disclosed
EP-1434579-A1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Tularik Inc. (US) 2004-07-07 EP disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 US disclosed
WO-2003030902-A1 IMIDAZOLE DERIVATES AS ANTI-INFLAMMATORY AGENTS TULARIK INC. (US) 2003-04-17 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 (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 OPRK1 1285/4885HSD17B10 4310/4885CASP1 436/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 OPRK1 1650/4885HSD17B10 3670/4885CASP1 195/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 OPRK1 1650/4885HSD17B10 3670/4885CASP1 195/4885

“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.