SCHEMBL4125770

SCHEMBL4125770

CN(C)CCCNCCCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 5/20 0.51
PAOX Q6QHF9 1/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
DNM1 Q05193 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
SCHEMBL4120360 0.94 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL4129046 0.94 MAOA (0.55) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL285008 0.93 TDP1 (0.66) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15680567 0.88 TDP1 (0.64) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1557057 0.88 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL34463500 0.87 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20763276 0.86 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18347560 0.86 TDP1 (0.70) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1298855 0.86 TDP1 (0.70) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17377996 0.85 TDP1 (0.74) TDP1MAOAMAOBMEN1KMT2A

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
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 WO 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS TDP1 2708/4885MAOA 4421/4885MAOB 3773/4885

“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.