SCHEMBL2020395

SCHEMBL2020395

CCCC(Nc1nc(Cl)nc(NC(CCC)C2CC(C)(C)N(OC3CC=CCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CC=CCC2)C(C)(C)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.30
IDH2 P48735 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
SCHEMBL456758 0.88 IDH1 (0.32) IDH1IDH2
SCHEMBL1005117 0.86 IDH1 (0.30) IDH1IDH2
SCHEMBL1231052 0.82 IDH1 (0.31) IDH1IDH2
SCHEMBL9429082 0.81 KMT2A (0.37)
SCHEMBL7458937 0.81 IDH1 (0.33) IDH1IDH2
SCHEMBL9428440 0.80 PDE4A (0.32)
SCHEMBL7990249 0.79 IDH1 (0.31) IDH1IDH2
SCHEMBL8653402 0.78
SCHEMBL20608531 0.78 GAA (0.33) IDH1IDH2
SCHEMBL9428260 0.78

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-8481726-B2 Process for the preparation of sterically hindered nitroxyl ethers BASF SE (DE) 2013-07-09 US disclosed
US-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers CIBA CORPORATION 2011-06-30 US disclosed
EP-2035382-B1 PROCESS FOR THE PREPARATION OF STERICALLY HINDERED NITROXYL ETHERS BASF SE (DE) 2009-11-18 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-20110160453-A1 Process for the preparation of sterically hindered nitroxyl ethers PPOX, CBR1, CBR3 IDH1 661/4885IDH2 348/4885

“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.