SCHEMBL4560376

SCHEMBL4560376

O=C1COC(=O)N1C(Oc1ccccn1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.32
KMO O15229 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3625929 0.81 CHRM1 (0.34)
SCHEMBL16118505 0.68 ALDH1A1 (0.46)
SCHEMBL5164869 0.68 ALDH1A1 (0.46)
SCHEMBL28626450 0.65 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL16118554 0.65 HSD11B1 (0.44) IDH1SLC6A2SLC6A4
SCHEMBL6824596 0.63 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL11191009 0.63 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL21494388 0.63 ADRA2A (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL13036344 0.62 CHRM2 (0.39) IDH1
SCHEMBL13036339 0.62 CHRM2 (0.39) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
US-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2009-03-12 US disclosed
EP-1909789-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
EP-1909789-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007018956-A3 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2007-04-12 WO disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 WO disclosed
WO-2007018956-A2 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-02-15 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-20090069385-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG IDH1 1126/4885KMO 2232/4885SLC6A2 4364/4885

“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.