SCHEMBL17134370

SCHEMBL17134370

CCOC(=O)c1[se]c(-c2ccc(OCC(C)C)c(C#N)c2)nc1CBr

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 11/20 0.67
▸ ABCC4 O15439 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ BLVRB P30043 1/20 0.49
▸ TARBP2 Q15633 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ SLC22A12 Q96S37 1/20 0.49

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
SCHEMBL17134262 0.92 XDH (0.79) XDHABCC4ABCB11PGRCHRM1
SCHEMBL17134461 0.89 XDH (0.83) XDHABCC4ABCB11PGRCHRM1
SCHEMBL17134414 0.80 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
SCHEMBL20195698 0.80 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL15512218 0.80 XDH (1.00) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29010159 0.74 XDH (0.56) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3583167 0.74 XDH (0.53) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523355 0.74 XDH (0.68) XDHABCC4ABCB11PGRCHRM1
SCHEMBL25327616 0.74 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL31601 0.74 XDH (0.80) XDHABCC4ABCB11PGRCHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927219-B1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2018-05-30 — — EP disclosed
US-9802907-B2 2-aryl selenazole compound and pharmaceutical composition thereof JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2017-10-31 — — US disclosed
US-20150291543-A1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD.(CN) (CN) 2015-10-15 — — US disclosed
EP-2927219-A1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Atom Bioscience and Pharmaceutical Co. Ltd. (CN) 2015-10-07 — — 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-20150291543-A1 2-ARYL SELENAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF SCLY, XDH, SELENOI XDH 2/4885ABCC4 1210/4885ABCB11 1456/4885

“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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