SCHEMBL4799872

SCHEMBL4799872

CC(=O)Nc1ccc(C)c(C=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 8/20 0.42
PTK2 Q05397 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
MAPK8 P45983 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GLS O94925 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
ABL1 P00519 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
SCHEMBL15873962 0.83 KDM4E (0.44) KDM4ELMNAPTK2MAPK8HSP90AA1
SCHEMBL9753194 0.78 SORT1 (0.53) KDM4ELMNAADORA3PTK2ADORA2A
SCHEMBL8323610 0.73 BRD4 (0.54) KDM4EADORA3ADORA1L3MBTL1
SCHEMBL15556909 0.72 MAPK8 (0.48) KDM4ELMNAADORA3ADORA2AADORA1
SCHEMBL15544912 0.71 KDM4E (0.42) KDM4ELMNAADORA3PTK2ADORA2A
SCHEMBL29957412 0.70 KDM4E (0.57) KDM4ELMNAADORA3ADORA2AADORA1
SCHEMBL1857722 0.70 KDM4E (0.57) KDM4ELMNAADORA3ADORA2AADORA1
SCHEMBL29452066 0.70 PTK2 (0.42) KDM4ELMNAADORA3PTK2ADORA2A
SCHEMBL29951716 0.70 ALDH1A1 (0.44) KDM4ELMNAADORA3PTK2ADORA2A
SCHEMBL15389823 0.69 SORT1 (0.38) L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 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 (1 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-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 KDM4E 1682/4885LMNA 4640/4885ADORA3 251/4885

“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.