SCHEMBL1858290

SCHEMBL1858290

O=C(N[C@H]1CCCC[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(-c2cccc[n+]2[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.60
▸ F2 P00734 4/20 0.50
▸ SMYD3 Q9H7B4 2/20 0.47
▸ NHERF1 O14745 1/20 0.46
▸ PYGL P06737 4/20 0.46
▸ PYGM P11217 3/20 0.45

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
SCHEMBL15045049 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2943091 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2943094 1.00 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL11888298 0.90 F10 (0.61) F10F2SMYD3NHERF1PYGL
SCHEMBL1857646 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL2935412 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL1857642 0.86 F10 (0.60) F10F2SMYD3NHERF1PYGL
SCHEMBL12669925 0.84 F10 (0.71) F10F2SMYD3NHERF1PYGL
SCHEMBL11888229 0.81 F10 (0.61) F10F2SMYD3NHERF1PYGL
SCHEMBL765293 0.80 F10 (0.62) F10F2SMYD3NHERF1PYGL

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-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-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 F10 126/4885F2 1/4885SMYD3 995/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 F10 126/4885F2 1/4885SMYD3 995/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 F10 78/4885F2 2/4885SMYD3 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.

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