SCHEMBL13696605

SCHEMBL13696605

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.61
F10 P00742 11/20 0.59
F2 P00734 4/20 0.59
PYGL P06737 6/20 0.56
EHMT2 Q96KQ7 1/20 0.56

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
SCHEMBL11888195 0.91 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL4363306 0.90 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL4360291 0.90 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL4360293 0.90 SMYD3 (0.63) SMYD3F10F2PYGLEHMT2
SCHEMBL12101161 0.88 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL11888160 0.88 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL14318622 0.88 SMYD3 (0.61) SMYD3F10F2PYGLEHMT2
SCHEMBL17149805 0.87 SMYD3 (0.62) SMYD3F10F2PYGLEHMT2
SCHEMBL12669925 0.86 F10 (0.71) SMYD3F10F2PYGL
SCHEMBL1860174 0.86 SMYD3 (0.67) SMYD3F10F2PYGLEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US 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 (1 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-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMYD3 995/4885F10 126/4885F2 1/4885

“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.