SCHEMBL4088084

SCHEMBL4088084

CC#CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.55
F10 P00742 11/20 0.55
F2 P00734 4/20 0.55
PYGL P06737 6/20 0.52
EHMT2 Q96KQ7 1/20 0.52

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
SCHEMBL4088088 1.00 SMYD3 (0.55) SMYD3F10F2PYGLEHMT2
SCHEMBL4088719 0.86 F10 (0.56) SMYD3F10F2PYGL
SCHEMBL4088716 0.86 F10 (0.56) SMYD3F10F2PYGL
SCHEMBL11888195 0.85 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL13696605 0.85 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL4363306 0.85 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL4360293 0.85 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL4360291 0.85 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL5902829 0.85 F10 (0.57) SMYD3F10F2PYGL
SCHEMBL4093939 0.85 F10 (0.57) SMYD3F10F2PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US 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-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 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 995/4885F10 126/4885F2 1/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMYD3 995/4885F10 126/4885F2 1/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMYD3 1262/4885F10 78/4885F2 2/4885

“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.