SCHEMBL4116399

SCHEMBL4116399

CCN(CC)CCN(CCN)C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ LMNA P02545 4/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ EPHX2 P34913 1/20 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
SCHEMBL4115173 0.83 MEN1 (0.80) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL4125608 0.81 MEN1 (0.61) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL4119653 0.75 MEN1 (0.54) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL4115503 0.75 KMT2A (0.54) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL4120282 0.72 MEN1 (0.60) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL11070209 0.70 MEN1 (0.47) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL10942583 0.69 MEN1 (0.68) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL4118978 0.69 GAA (0.59) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL4113680 0.69 MCHR1 (0.54) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL4114264 0.69 LMNA (0.79) MEN1KMT2ALMNAPOLBSMN1; SMN2

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
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
CN-1917873-A Diurea derivatives ACTIVE BIOTECH AB (SE) 2007-02-21 — — CN 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 MEN1 4167/4885KMT2A 2720/4885LMNA 3428/4885

“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.

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