SCHEMBL4094101

SCHEMBL4094101

COC[C@@H]1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.50
EHMT2 Q96KQ7 1/20 0.50
SMYD3 Q9H7B4 2/20 0.46
PYGL P06737 3/20 0.46

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
SCHEMBL4275693 1.00 F10 (0.50) F10EHMT2SMYD3PYGL
SCHEMBL3340284 1.00 F10 (0.50) F10EHMT2SMYD3PYGL
SCHEMBL10476622 1.00 F10 (0.50) F10EHMT2SMYD3PYGL
SCHEMBL3340287 1.00 F10 (0.50) F10EHMT2SMYD3PYGL
SCHEMBL3342555 0.91 F10 (0.59) F10EHMT2SMYD3PYGL
SCHEMBL4093951 0.91 F10 (0.59) F10EHMT2SMYD3PYGL
SCHEMBL4087798 0.91 F10 (0.59) F10EHMT2SMYD3PYGL
SCHEMBL15016361 0.91 F10 (0.59) F10EHMT2SMYD3PYGL
SCHEMBL4269437 0.91 F10 (0.59) F10EHMT2SMYD3PYGL
SCHEMBL3342559 0.91 F10 (0.59) F10EHMT2SMYD3PYGL

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 9 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-7223301-B2 Anthrapyridone compound, water-based magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-05-29 US disclosed
US-20060219131-A1 Anthrapyridone compound, aqueous magenta ink composition and inkjet recording method NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-10-05 US disclosed
EP-1626069-A1 ANTHRAPYRIDONE COMPOUND, AQUEOUS MAGENTA INK COMPOSITION AND INKJET RECORDING METHOD NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-02-15 EP 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 F10 126/4885EHMT2 833/4885SMYD3 995/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 F10 126/4885EHMT2 833/4885SMYD3 995/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 F10 78/4885EHMT2 495/4885SMYD3 1262/4885

“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.