SCHEMBL5908741

SCHEMBL5908741

CCOC(=O)c1c(N2CCOCC2)n(C2CC2)c2cc(Cc3nc(C(C)C)cs3)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PIK3CA P42336 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ DGAT1 O75907 3/20 0.32
▸ SOAT1 P35610 3/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL5908617 0.91 PRKD3 (0.35) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6498293 0.90 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5908263 0.81 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL6499194 0.81 PIK3CA (0.34) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5779740 0.68 ADRB2 (0.42) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5908463 0.68 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5908450 0.68 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5908454 0.68 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5780720 0.68 KDM4E (0.37) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL5814129 0.67 ADORA2A (0.35) KDM4EALDH1A1KMT2AMEN1TSHR

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-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 — — US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 — — US disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 — — 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 (2 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-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 KDM4E 2648/4885ALDH1A1 1515/4885HPGD 811/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 KDM4E 2673/4885ALDH1A1 1244/4885HPGD 878/4885

“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.

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