SCHEMBL739706

SCHEMBL739706

CCOC(=O)C1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)(C(=O)OC(C)(C)C)C(N)C1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
PYGL P06737 13/20 0.43
SMYD3 Q9H7B4 1/20 0.42
IDO1 P14902 3/20 0.41
CYP51A1 Q16850 1/20 0.41

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
SCHEMBL741362 0.91 MLLT1 (0.40) KMT2AMEN1RAB9AATMPYGL
SCHEMBL743763 0.90 SMYD3 (0.46) PYGLSMYD3IDO1CYP51A1
SCHEMBL741538 0.90 SMYD3 (0.46) PYGLSMYD3IDO1CYP51A1
SCHEMBL740808 0.88 F10 (0.44) PYGLSMYD3IDO1CYP51A1
SCHEMBL739377 0.87 F10 (0.44) PYGLSMYD3IDO1CYP51A1
SCHEMBL740438 0.85 SMYD3 (0.45) PYGLSMYD3IDO1CYP51A1
SCHEMBL741757 0.85 SMYD3 (0.46) PYGLSMYD3IDO1CYP51A1
SCHEMBL741108 0.84 SMYD3 (0.44) PYGLSMYD3IDO1CYP51A1
SCHEMBL27547475 0.78 KMT2A (0.58) KMT2AMEN1RAB9AATMPYGL
Hydrochloric Acid SCHEMBL742545 0.78 KMT2A (0.57) KMT2AMEN1RAB9AATMPYGL

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 4 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
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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 (2 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 KMT2A 1593/4885MEN1 208/4885RAB9A 3604/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 KMT2A 1593/4885MEN1 208/4885RAB9A 3604/4885

“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.