SCHEMBL3597530

SCHEMBL3597530

CC(C)(C)C(=O)c1ccc2[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
ALDH1A1 P00352 1/20 0.70
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 2/20 0.56
MCL1 Q07820 1/20 0.51
KDR P35968 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL25956596 0.87 IRAK4 (0.83) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25956589 0.87 IRAK4 (0.85) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL24373774 0.85 IRAK4 (0.84) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL13500546 0.85 IRAK4 (0.66) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL12392472 0.83 NPC1 (0.50) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25956583 0.83 IRAK4 (0.84) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25956581 0.83 IRAK4 (0.84) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3597174 0.83 IRAK4 (1.00) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL25967687 0.83 IRAK4 (0.85) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3595615 0.82 IRAK4 (1.00) IRAK4SMN1; SMN2RAB9ANPC1ALDH1A1

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 7 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-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-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 IRAK4 102/4885SMN1; SMN2 4458/4885RAB9A 3690/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 IRAK4 55/4885SMN1; SMN2 4121/4885RAB9A 4236/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 IRAK4 55/4885SMN1; SMN2 4121/4885RAB9A 4236/4885

“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.