SCHEMBL2835276

SCHEMBL2835276

COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)N5CCC6(CC5)OCCO6)cc4)cnc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
ALDH1A1 P00352 4/20 0.40
CES2 O00748 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 3/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
MAP4K1 Q92918 1/20 0.38
ERBB2 P04626 1/20 0.37
PTK6 Q13882 1/20 0.37
ATM Q13315 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
SCHEMBL2834618 0.90 ALDH1A1 (0.48) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL2839639 0.89 NOS1 (0.48) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL2832542 0.89 NOS2 (0.48) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL2836572 0.88 NOS1 (0.47) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL2831824 0.88 MAP4K1 (0.49) NOS3NOS1NOS2KDM4ETSHR
SCHEMBL2833520 0.87 NOS2 (0.46) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL2839627 0.86 NOS1 (0.44) NOS3NOS1NOS2ALDH1A1MAPT
SCHEMBL2831912 0.86 NOS1 (0.45) NOS3NOS1NOS2MAPTLMNA
SCHEMBL2831910 0.86 NOS1 (0.45) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL2832530 0.85 MAP4K1 (0.47) NOS3NOS1NOS2ALDH1A1KDM4E

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 12 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

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 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 NOS3 3/4885NOS1 2/4885NOS2 1/4885

“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.