SCHEMBL5418382

SCHEMBL5418382

CC(C)(C)OC(=O)N(c1ccccc1)c1ncc(CO)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ AKT1 P31749 2/20 0.37
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 2/20 0.36
▸ CTSS P25774 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MT-CO2 P00403 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL19512762 0.84 L3MBTL1 (0.42) PAX8GSK3BAKT1L3MBTL1ATM
SCHEMBL3594791 0.84 GSK3B (0.39) PAX8GSK3BAKT1L3MBTL1ATM
SCHEMBL5418145 0.83 BACE1 (0.35) PAX8GSK3BAKT1L3MBTL1ATM
SCHEMBL6059910 0.79 SSTR4 (0.34) PAX8L3MBTL1HDAC1HDAC6HDAC3
SCHEMBL504005 0.78 L3MBTL1 (0.55) GSK3BAKT1L3MBTL1ATMTDP1
SCHEMBL3598253 0.76 MAOB (0.44) F2
SCHEMBL5418151 0.75 PAX8 (0.34) PAX8GSK3BL3MBTL1ATMTDP1
SCHEMBL3590513 0.74 MAOB (0.44) F2
SCHEMBL30073325 0.73 F2 (0.47) PAX8GSK3BL3MBTL1ATMTDP1
SCHEMBL1529415 0.72 PTGIR (0.49) GSK3BL3MBTL1ATMTDP1NPSR1

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-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 — — US disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 — — US disclosed
EP-1724271-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-22 — — 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-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 PAX8 3465/4885GSK3B 4676/4885AKT1 3519/4885

“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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