SCHEMBL996864

SCHEMBL996864

COC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1[Si](C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.53
ABCB1 P08183 6/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 5/20 0.52
POLB P06746 1/20 0.52
STAT3 P40763 2/20 0.51
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL1001456 0.89 KIF11 (0.61) ABCG2ABCB1MAPTALDH1A1POLB
SCHEMBL998707 0.84 ABCG2 (0.61) ABCG2ABCB1MAPTPOLBTP53
SCHEMBL9928863 0.83 ABCG2 (0.71) ABCG2ABCB1MAPTPOLB
SCHEMBL998427 0.82 TP53 (0.60) ABCG2ABCB1MAPTALDH1A1POLB
SCHEMBL997784 0.82 KIF11 (0.62) ABCG2ABCB1MAPTSTAT3TP53
SCHEMBL8372051 0.79 LMNA (0.69) ABCG2ABCB1MAPTPOLBGAA
SCHEMBL12194947 0.75 PDE5A (0.65) ABCG2ABCB1MAPTL3MBTL1
SCHEMBL8402742 0.75 MAPT (0.63) ABCG2ABCB1MAPTALDH1A1POLB
SCHEMBL999692 0.74 ABCB1 (0.54) ABCG2ABCB1MAPTALDH1A1POLB
SCHEMBL996707 0.74 MAPT (0.47) ABCG2ABCB1MAPTALDH1A1POLB

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 3 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
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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 ABCG2 309/4885ABCB1 307/4885MAPT 4705/4885

“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.