SCHEMBL998836

SCHEMBL998836

CC(=O)N1CCc2c([nH]c3ncccc23)C1c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
STAT3 P40763 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HHAT Q5VTY9 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
SCHEMBL998547 0.90 MAPT (0.46) NPSR1STAT3SMN1; SMN2MAPTPOLB
SCHEMBL997315 0.89 ABCB1 (0.47) KIF11NPSR1STAT3MAPTPOLB
SCHEMBL998488 0.89 ABCB1 (0.56) KIF11NPSR1STAT3MAPTPOLB
SCHEMBL997680 0.86 STAT3 (0.47) KIF11NPSR1STAT3MAPTPOLB
SCHEMBL996807 0.86 KIF11 (0.46) KIF11NPSR1SMN1; SMN2MAPTPOLB
SCHEMBL997471 0.85 MAPT (0.55) KIF11NPSR1SMN1; SMN2MAPTPOLB
SCHEMBL998821 0.85 KIF11 (0.56) KIF11NPSR1STAT3MAPTABCB1
SCHEMBL1000663 0.85 ABCB1 (0.56) KIF11NPSR1SMN1; SMN2MAPTABCB1
SCHEMBL1000979 0.84 KIF11 (0.51) KIF11NPSR1SMN1; SMN2MAPTABCB1
SCHEMBL998604 0.84 TP53 (0.49) KIF11NPSR1STAT3SMN1; SMN2MAPT

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KIF11 4760/4885NPSR1 275/4885STAT3 616/4885

“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.