SCHEMBL5826544

SCHEMBL5826544

COc1ccc2nccc(C(N)=O)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.54
KDM4E B2RXH2 2/20 0.54
PARP1 P09874 4/20 0.46
PKN1 Q16512 1/20 0.45
PKN2 Q16513 1/20 0.45
PDE10A Q9Y233 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K4 O95819 1/20 0.39
AURKA O14965 1/20 0.39
MET P08581 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
AURKB Q96GD4 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PLA2G10 O15496 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
Hydrochloric Acid SCHEMBL6756852 0.98 NNMT (0.53) NNMTKDM4EPARP1PKN1PKN2
Oxalic Acid SCHEMBL5635184 0.96 NNMT (0.50) NNMTKDM4EPARP1PKN1PKN2
Fumaric Acid SCHEMBL5635236 0.92 KDM4E (0.47) NNMTKDM4EPARP1PKN1PKN2
SCHEMBL5309028 0.88 LMNA (0.43) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL21998273 0.85 L3MBTL1 (0.45) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL29948108 0.85 L3MBTL1 (0.45) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL2918923 0.81 HPGDS (0.40) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL13452146 0.81 LMNA (0.39) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL3543451 0.80 LMNA (0.38) NNMTKDM4ELMNAPOLBTDP1
SCHEMBL2821272 0.78 NNMT (0.50) NNMTKDM4EPARP1PDE10APOLB

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-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 NNMT 57/4885KDM4E 3867/4885PARP1 1657/4885

“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.