SCHEMBL4083340

SCHEMBL4083340

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)C[C@@H]1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BTK Q06187 1/20 0.37
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
MAOA P21397 1/20 0.34
EPHX2 P34913 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
KCNA3 P22001 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
CPB1 P15086 1/20 0.32
DRD2 P14416 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL4359099 0.69 BTK (0.64) KDM1AMAOBKMT2AL3MBTL1BTK
SCHEMBL4362967 0.69 BTK (0.64) KDM1AMAOBKMT2AL3MBTL1BTK
SCHEMBL3898907 0.68 ALDH1A1 (0.56) KDM1AMAOBKMT2AL3MBTL1BTK
SCHEMBL27343830 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL21184415 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL24623231 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL19932164 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL556948 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL556949 0.68 BTK (0.49) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL20063702 0.68 BTK (0.50) KDM1AMAOBKMT2AL3MBTL1BTK

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 KDM1A 498/4885MAOB 1211/4885KMT2A 1593/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 KDM1A 498/4885MAOB 1211/4885KMT2A 1593/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 KDM1A 443/4885MAOB 609/4885KMT2A 980/4885

“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.