SCHEMBL5848756

SCHEMBL5848756

CCC(=O)NC(=N)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.33
EPHX1 P07099 2/20 0.33
PSMB5 P28074 1/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 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
SCHEMBL1071241 0.81 MEN1 (0.42) MEN1KMT2AMAPK1CYP2C9ALDH1A1
SCHEMBL19116604 0.77
SCHEMBL19381600 0.77 PKM (0.45) MEN1KMT2AFAAHMAPK1CYP2C9
SCHEMBL155431 0.76
SCHEMBL3058558 0.75 CA12 (0.32) MMP1MMP2CA12CA1CA2
SCHEMBL18882601 0.75 ALDH1A1 (0.35) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL20711353 0.75 CYP2D6 (0.45) MEN1KMT2AEPHX1PSMB5MMP1
SCHEMBL17919017 0.75
SCHEMBL14417043 0.75 CRBN (0.36) MEN1KMT2AFAAHMAPK1ALDH1A1
SCHEMBL13607969 0.74 SMN1; SMN2 (0.47) MEN1KMT2AFAAHMAPK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 US disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 US disclosed
EP-1686990-B1 2-GUANIDINYLIMIDAZOLIDINEDIONE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF US ARMY MED RES MAT COMMAND (US) 2012-09-19 EP disclosed
US-7101902-B2 2-guanidinylimidazolidinedione compounds and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-09-05 US disclosed
US-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof ARMY, UNITED STATES 2005-07-07 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-20050148645-A1 2-Guanidinylimidazolidinedione compounds and methods of making and using thereof GUCY1B2, GUCY1A2, AGK MEN1 3074/4885KMT2A 1402/4885FAAH 2060/4885
US-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX MEN1 2226/4885KMT2A 4606/4885FAAH 3355/4885

“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.