SCHEMBL4083424

SCHEMBL4083424

N[C@@H]1C[C@H](OCc2ccccc2)C[C@H]1NC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PYGL P06737 12/20 0.54
SMYD3 Q9H7B4 2/20 0.53
NHERF1 O14745 2/20 0.51
EHMT2 Q96KQ7 1/20 0.50
EGFR P00533 1/20 0.50
F10 P00742 1/20 0.49

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
SCHEMBL4093196 1.00 PYGL (0.54) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL10476621 1.00 PYGL (0.54) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL4083417 1.00 PYGL (0.54) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL12631299 1.00 PYGL (0.54) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL11888168 0.89 TP53 (0.50) PYGL
SCHEMBL2936321 0.88 PYGL (0.53) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL14197920 0.88 PYGL (0.53) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL2936323 0.88 PYGL (0.53) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL12035319 0.85 PYGL (0.55) PYGLSMYD3NHERF1EHMT2EGFR
SCHEMBL1853252 0.83 SMYD3 (0.70) PYGLSMYD3NHERF1EHMT2F10

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 6 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
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 PYGL 3056/4885SMYD3 995/4885NHERF1 1275/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 PYGL 3056/4885SMYD3 995/4885NHERF1 1275/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 PYGL 2722/4885SMYD3 1262/4885NHERF1 986/4885

“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.