SCHEMBL4089091

SCHEMBL4089091

CC(C)(C)OC(=O)NC1CC(C(C)(C)O)CCC1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.48
EHMT2 Q96KQ7 1/20 0.48
F10 P00742 15/20 0.47
PYGL P06737 2/20 0.45
F2 P00734 1/20 0.44

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
SCHEMBL4089093 1.00 SMYD3 (0.48) SMYD3EHMT2F10PYGLF2
SCHEMBL10476697 1.00 SMYD3 (0.48) SMYD3EHMT2F10PYGLF2
SCHEMBL765256 1.00 SMYD3 (0.48) SMYD3EHMT2F10PYGLF2
SCHEMBL4095864 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4083426 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4095868 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3338579 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3335058 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL3335060 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2
SCHEMBL4083427 0.88 SMYD3 (0.54) SMYD3EHMT2F10PYGLF2

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
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (3 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 SMYD3 995/4885EHMT2 833/4885F10 126/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMYD3 995/4885EHMT2 833/4885F10 126/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMYD3 1262/4885EHMT2 495/4885F10 78/4885

“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.