SCHEMBL6035740

SCHEMBL6035740

COC(=O)CCc1cn(C)nc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ MIF P14174 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KAT2B Q92831 1/20 0.35

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
SCHEMBL5120016 0.84 CYP4F2 (0.49) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL5405529 0.83 HSP90AB1 (0.42) TSHRKDM4EHSD17B10MAPTALDH1A1
SCHEMBL23398685 0.72 PTPN1 (0.35) —
SCHEMBL3577777 0.72 KDM4E (0.35) TSHRMIFKDM4EHSD17B10ALDH1A1
SCHEMBL4422019 0.70 MEN1 (0.54) TSHRKDM4EHSD17B10MAPTALDH1A1
SCHEMBL20818690 0.70 TSHR (0.43) TSHRMIFKDM4EHSD17B10MAPT
SCHEMBL5106211 0.69 AKR1B1 (0.41) TSHRKDM4EHSD17B10MAPTALDH1A1
SCHEMBL23399118 0.69 TYR (0.40) TSHRMIFKDM4EMAPTHTT
SCHEMBL20262421 0.69 MIF (0.40) TSHRMIFKDM4EHSD17B10MAPT
SCHEMBL10438855 0.69 CYP4F2 (0.58) TSHRKDM4EHSD17B10MAPTALDH1A1

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
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 — — US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 — — EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 — — WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 — — WO 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 TSHR 910/4885MIF 4040/4885KDM4E 509/4885

“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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