SCHEMBL741538

SCHEMBL741538

CC(C)(C)OC(=O)C1(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCC(C(N)=O)CC1N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.46
CYP51A1 Q16850 1/20 0.43
IDO1 P14902 6/20 0.43
PYGL P06737 8/20 0.42
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL743763 0.93 SMYD3 (0.46) SMYD3CYP51A1IDO1PYGL
SCHEMBL740808 0.92 F10 (0.44) SMYD3CYP51A1IDO1PYGLHRH4
SCHEMBL739377 0.91 F10 (0.44) SMYD3CYP51A1IDO1PYGL
SCHEMBL739706 0.90 KMT2A (0.50) SMYD3CYP51A1IDO1PYGL
SCHEMBL741757 0.88 SMYD3 (0.46) SMYD3CYP51A1IDO1PYGL
SCHEMBL740438 0.87 SMYD3 (0.45) SMYD3CYP51A1IDO1PYGLHRH4
SCHEMBL741108 0.86 SMYD3 (0.44) SMYD3CYP51A1IDO1PYGLHRH4
SCHEMBL741362 0.80 MLLT1 (0.40) SMYD3PYGL
SCHEMBL743062 0.76 F10 (0.32)
SCHEMBL3339235 0.75 F10 (0.51) SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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

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 995/4885CYP51A1 3335/4885IDO1 317/4885

“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.