SCHEMBL2831827

SCHEMBL2831827

COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)Nc5ccc(N(C)C)cc5)cc4)cnc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.46
NOS2 P35228 7/20 0.46
NOS3 P29474 4/20 0.46
ACHE P22303 1/20 0.44
PLAU P00749 2/20 0.41
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
KIT P10721 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL2831944 0.93 NOS1 (0.49) NOS1NOS2NOS3PLAULMNA
SCHEMBL2839097 0.91 NOS1 (0.48) NOS1NOS2NOS3PLAULMNA
SCHEMBL2835398 0.90 NOS1 (0.47) NOS1NOS2NOS3PLAULMNA
SCHEMBL5036490 0.90 NOS1 (0.55) NOS1NOS2NOS3PLAULMNA
SCHEMBL2831974 0.90 NOS1 (0.55) NOS1NOS2NOS3PLAULMNA
SCHEMBL5033919 0.90 NOS2 (0.55) NOS1NOS2NOS3LMNAMEN1
SCHEMBL2834652 0.89 NOS2 (0.47) NOS1NOS2NOS3ACHEKMT2A
SCHEMBL4148356 0.86 NOS2 (0.52) NOS1NOS2NOS3LMNAMEN1
SCHEMBL4151507 0.86 NOS2 (0.51) NOS1NOS2NOS3CYP2C9
SCHEMBL2839191 0.85 NOS2 (0.47) NOS1NOS2NOS3LMNAMEN1

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 14 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-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG 2008-01-24 US 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 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 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.