SCHEMBL2834618

SCHEMBL2834618

COc1ccnc(CCc2nc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cnc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 4/20 0.48
USP2 O75604 3/20 0.48
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
TSHR P16473 2/20 0.45
CASP1 P29466 1/20 0.45
ERBB2 P04626 2/20 0.45
PTK6 Q13882 2/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LRRK2 Q5S007 1/20 0.41
HPGD P15428 3/20 0.41

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
SCHEMBL2839639 0.93 NOS1 (0.48) ALDH1A1KDM4EGAAATMNOS3
SCHEMBL2832542 0.93 NOS2 (0.48) ALDH1A1KDM4EGAAATMNOS3
SCHEMBL2836572 0.92 NOS1 (0.47) ALDH1A1KDM4EGAAATMNOS3
SCHEMBL2831824 0.91 MAP4K1 (0.49) KDM4ENOS3NOS1NOS2TSHR
SCHEMBL2833520 0.90 NOS2 (0.46) ALDH1A1KDM4EHSD17B10USP2GAA
SCHEMBL2835276 0.90 NOS3 (0.43) ALDH1A1KDM4EUSP2GAAATM
SCHEMBL2831910 0.90 NOS1 (0.45) ALDH1A1NOS3NOS1NOS2TSHR
SCHEMBL2831912 0.90 NOS1 (0.45) NOS3NOS1NOS2LMNACYP2C9
SCHEMBL2835166 0.89 NOS3 (0.49) ALDH1A1KDM4EHSD17B10USP2NOS3
SCHEMBL2839798 0.88 NOS3 (0.43) ALDH1A1KDM4EHSD17B10USP2NOS3

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 ALDH1A1 383/4885KDM4E 2060/4885HSD17B10 1922/4885
US-20080021039-A1 Imidazopyridine-derivatives as inducible no-synthase inhibitors NOS2, NOS1, NOS3 ALDH1A1 383/4885KDM4E 2060/4885HSD17B10 1922/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 ALDH1A1 383/4885KDM4E 2060/4885HSD17B10 1922/4885

“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.