SCHEMBL2830896

SCHEMBL2830896

COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)N5CCNC(=O)CC5)cc4)cnc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 9/20 0.44
NOS1 P29475 8/20 0.44
NOS3 P29474 5/20 0.44
TDO2 P48775 1/20 0.40
GLA P06280 1/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
MAP4K1 Q92918 1/20 0.38
CYP2C9 P11712 1/20 0.38
FGFR3 P22607 1/20 0.37
ERBB2 P04626 1/20 0.37
PTK6 Q13882 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2832542 0.90 NOS2 (0.48) NOS2NOS1NOS3IKBKBCHUK
SCHEMBL2839639 0.90 NOS1 (0.48) NOS2NOS1NOS3IKBKBCHUK
SCHEMBL2833520 0.89 NOS2 (0.46) NOS2NOS1NOS3IKBKBCHUK
SCHEMBL2836572 0.89 NOS1 (0.47) NOS2NOS1NOS3MAP4K1CYP2C9
SCHEMBL2833688 0.89 NOS1 (0.43) NOS2NOS1NOS3IKBKBCHUK
SCHEMBL2831824 0.88 MAP4K1 (0.49) NOS2NOS1NOS3IKBKBMAP4K1
SCHEMBL2834618 0.88 ALDH1A1 (0.48) NOS2NOS1NOS3CYP2C9ERBB2
SCHEMBL2836526 0.87 NOS1 (0.42) NOS2NOS1NOS3IKBKBCHUK
SCHEMBL2831910 0.87 NOS1 (0.45) NOS2NOS1NOS3MAP4K1CYP2C9
SCHEMBL2831912 0.87 NOS1 (0.45) NOS2NOS1NOS3IKBKBCHUK

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-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US claimed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US claimed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP claimed
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG 2008-01-24 US claimed
US-7279488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors NYCOMED GMBH (DE) 2007-10-09 US claimed
US-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-12-28 US claimed
EP-1670796-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-06-21 EP claimed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 WO claimed
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
US-7279488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors NYCOMED GMBH (DE) 2007-10-09 US disclosed
US-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-12-28 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-20060293302-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885NOS3 3/4885

“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.