SCHEMBL997805

SCHEMBL997805

COc1ccc(C2c3[nH]c4ccccc4c3C3(CC3)CN2C(C)=O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.45
ABCB1 P08183 7/20 0.45
PDE5A O76074 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ERAP1 Q9NZ08 2/20 0.42
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT3 P40763 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1A P35348 1/20 0.40

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
SCHEMBL998964 0.94 ABCG2 (0.45) ABCG2ABCB1ERAP1KIF11KDM4E
SCHEMBL999004 0.92 ABCG2 (0.45) ABCG2ABCB1PDE5ANPSR1ERAP1
SCHEMBL2033551 0.91 KIF11 (0.47) ABCG2ABCB1KIF11KDM4ESTAT3
SCHEMBL997625 0.90 MAPT (0.43) ABCG2ABCB1NPSR1KIF11KDM4E
SCHEMBL2032088 0.90 KIF11 (0.47) ABCG2ABCB1PDE5AKIF11KDM4E
SCHEMBL2029776 0.89 NPSR1 (0.42) ABCG2ABCB1PDE5ANPSR1ERAP1
SCHEMBL998777 0.87 ABCG2 (0.57) ABCG2ABCB1NPSR1KIF11KDM4E
SCHEMBL2031468 0.87 ABCB1 (0.42) ABCG2ABCB1KIF11KDM4EALDH1A1
SCHEMBL2032888 0.87 KIF11 (0.42) ABCG2ABCB1KIF11ALDH1A1
SCHEMBL998600 0.86 ABCG2 (0.53) ABCG2ABCB1PDE5AKIF11

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 ABCG2 309/4885ABCB1 307/4885PDE5A 2617/4885

“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.