SCHEMBL13158106

SCHEMBL13158106

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2ccccc2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 2/20 0.44
▸ KCNJ3 P48549 2/20 0.44
▸ KCNJ5 P48544 1/20 0.43
▸ FABP3 P05413 1/20 0.42
▸ FABP4 P15090 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ RPA1 P27694 1/20 0.40
▸ PTGS2 P35354 2/20 0.39
▸ PDE5A O76074 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TRPC6 Q9Y210 2/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL3104558 0.92 KCNJ6 (0.41) KCNJ6KCNJ3KCNJ5MGLLPTGS2
SCHEMBL13158107 0.91 KCNJ6 (0.43) KCNJ6KCNJ3KCNJ5FABP3FABP4
SCHEMBL13158105 0.90 FABP3 (0.43) KCNJ6KCNJ3KCNJ5FABP3FABP4
SCHEMBL3098837 0.89 TP53 (0.41) KCNJ6KCNJ3KCNJ5PTGS2MAPT
SCHEMBL13157566 0.87 MGLL (0.38) KCNJ6KCNJ3KCNJ5CA1CA2
SCHEMBL3093947 0.86 IRAK4 (0.41) KCNJ6KCNJ3KCNJ5FABP3FABP4
SCHEMBL3100407 0.86 PTGS2 (0.50) KCNJ6KCNJ3MGLLRPA1PTGS2
SCHEMBL3098701 0.86 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5FABP3FABP4
SCHEMBL3093713 0.85 PTGS2 (0.44) KCNJ6KCNJ3MGLLRPA1PTGS2
SCHEMBL13157631 0.84 PTGS2 (0.48) KCNJ6KCNJ3MGLLRPA1PTGS2

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 KCNJ6 2225/4885KCNJ3 2066/4885KCNJ5 2222/4885

“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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