SCHEMBL4112236

SCHEMBL4112236

CC(C)N(CCN(CCNC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.56
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ UTS2R Q9UKP6 2/20 0.49
▸ MCHR1 Q99705 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ IDH1 O75874 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ MTOR P42345 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
SCHEMBL4111552 0.95 MEN1 (0.56) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL4106222 0.91 MEN1 (0.52) CNR1MEN1KMT2AMCHR1GAA
SCHEMBL4119984 0.90 MEN1 (0.51) CNR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL4117727 0.89 CNR1 (0.60) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL4114155 0.88 MEN1 (0.49) CNR1MEN1KMT2AMCHR1MAPT
SCHEMBL4119645 0.87 MCHR1 (0.60) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL5705917 0.84 CNR1 (0.57) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL4106129 0.84 CNR1 (0.57) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL4113873 0.83 CNR1 (0.67) CNR1MEN1KMT2AUTS2RMCHR1
SCHEMBL4117599 0.83 CNR1 (0.67) CNR1MEN1KMT2AUTS2RMCHR1

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
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US claimed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
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 CNR1 3201/4885MEN1 4167/4885KMT2A 2720/4885

“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.

Send feedback