SCHEMBL6095408

SCHEMBL6095408

Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCCCNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.42
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
BCHE P06276 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37

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
SCHEMBL6095926 0.98 BRD4 (0.41) BRD4CA12CA1CA2CA9
SCHEMBL6096324 0.94 BCHE (0.42) BRD4BCHE
SCHEMBL5339852 0.91 BCHE (0.38) BRD4CA12CA1CA2CA9
SCHEMBL6097248 0.85 BRD4 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL4837631 0.85 LMNA (0.38)
SCHEMBL27591878 0.84 ALDH1A1 (0.35) BRD4BCHE
SCHEMBL4771390 0.84 LMNA (0.37)
SCHEMBL4769051 0.84 LMNA (0.37)
SCHEMBL6094256 0.84 BRD4 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL4769141 0.83 POLB (0.40)

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100402528-C Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-07-16 CN disclosed
CN-100387597-C Amido-substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2008-05-14 CN disclosed
US-7098221-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-29 US disclosed
US-20050282854-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-12-22 US disclosed
US-6969722-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-29 US disclosed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
US-6878719-B2 Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-12 US disclosed
CN-1599740-A Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2005-03-23 CN disclosed
CN-1599738-A Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2005-03-23 CN disclosed
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
EP-1343783-A2 SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2003-09-17 EP disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6525064-B1 Immune response modifiers; can induce the biosynthesis of various cytokines; 3M INNOVATIVE PROPERTIES COMPANY 2003-02-25 US disclosed
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2002-08-08 US disclosed
WO-2002046194-A2 SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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-20040186128-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG BRD4 57/4885CA12 4123/4885CA1 4256/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG BRD4 57/4885CA12 4123/4885CA1 4256/4885
US-20020107262-A1 SUBSTITUTED IMIDAZOPYRIDINES IRF3, IFNG, EIF2AK2 BRD4 105/4885CA12 4596/4885CA1 4781/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG BRD4 57/4885CA12 4123/4885CA1 4256/4885

“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.