SCHEMBL4115503

SCHEMBL4115503

CCN(CC)CCN(CCNC(=O)OC(C)(C)C)C(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ NFKB1 P19838 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4118963 0.89 MAPT (0.45) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4125608 0.84 MEN1 (0.61) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4115173 0.82 MEN1 (0.80) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4115223 0.80 FPR3 (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL4119653 0.79 MEN1 (0.54) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4124390 0.78 MCHR1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL4116399 0.75 MEN1 (0.57) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL4107138 0.75 CNR1 (0.55) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL4120380 0.74 ALDH1A1 (0.45) GAAALDH1A1POLBMAPTL3MBTL1
SCHEMBL4118978 0.74 GAA (0.59) KMT2AMEN1GAASMN1; SMN2LMNA

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 KMT2A 2720/4885MEN1 4167/4885GAA 3857/4885

“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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