SCHEMBL998229

SCHEMBL998229

COc1cccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(=O)Nc2cc(C)cc(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.50
ABCB1 P08183 4/20 0.50
MAPT P10636 6/20 0.47
TP53 P04637 5/20 0.47
PAX8 Q06710 2/20 0.45
KIF11 P52732 1/20 0.45
HTR7 P34969 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
LHCGR P22888 1/20 0.40
THRB P10828 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
SCHEMBL1000385 0.95 TP53 (0.45) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL997842 0.93 TP53 (0.53) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL999200 0.89 PAX8 (0.45) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL998636 0.89 ABCB1 (0.49) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL999048 0.89 PAX8 (0.45) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL1000909 0.88 PAX8 (0.45) MAPTTP53PAX8KIF11NPSR1
SCHEMBL997740 0.87 PAX8 (0.41) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL2034601 0.87 PAX8 (0.51) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL998300 0.86 MAPT (0.43) ABCG2ABCB1MAPTTP53PAX8
SCHEMBL998843 0.86 TP53 (0.44) ABCG2ABCB1MAPTTP53PAX8

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.