SCHEMBL999981

SCHEMBL999981

COC(=O)N1CCc2c([nH]c3ncccc23)C1c1ccc(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.56
ABCG2 Q9UNQ0 11/20 0.56
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.43
KIF11 P52732 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1000663 0.90 ABCB1 (0.56) ABCB1ABCG2LMNATP53MAPT
SCHEMBL998834 0.89 MAPT (0.53) ABCB1ABCG2LMNATP53MAPT
SCHEMBL999124 0.89 KIF11 (0.50) ABCB1ABCG2LMNATP53MAPT
SCHEMBL997949 0.89 LMNA (0.45) ABCB1ABCG2LMNATP53MAPT
SCHEMBL997415 0.87 ABCG2 (0.59) ABCB1ABCG2LMNATP53MAPT
SCHEMBL998810 0.86 ALDH1A1 (0.52) ABCB1ABCG2LMNATP53MAPT
SCHEMBL998547 0.85 MAPT (0.46) ABCB1ABCG2LMNATP53MAPT
SCHEMBL996709 0.85 ABCG2 (0.57) ABCB1ABCG2LMNATP53MAPT
SCHEMBL997997 0.85 ABCG2 (0.59) ABCB1ABCG2LMNATP53MAPT
SCHEMBL999692 0.85 ABCB1 (0.54) ABCB1ABCG2TP53MAPTNPSR1

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 ABCB1 307/4885ABCG2 309/4885LMNA 528/4885

“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.