SCHEMBL4115055

SCHEMBL4115055

O=C(NCCN(Cc1ccccc1F)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CNR1 P21554 3/20 0.49
▸ GOT1 P17174 1/20 0.47
▸ MTOR P42345 5/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ NAMPT P43490 2/20 0.43
▸ KCNJ5 P48544 1/20 0.42
▸ KCNJ3 P48549 1/20 0.42

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
SCHEMBL4124108 0.85 MTOR (0.61) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4108313 0.80 CNR1 (0.56) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4117599 0.79 CNR1 (0.67) MEN1KMT2ACNR1MTORMCHR1
SCHEMBL4114216 0.79 MEN1 (0.55) MEN1KMT2ACNR1MTORMCHR1
SCHEMBL4113873 0.79 CNR1 (0.67) MEN1KMT2ACNR1MTORMCHR1
SCHEMBL4107298 0.79 MEN1 (0.55) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4112186 0.78 MEN1 (0.60) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4119609 0.77 MEN1 (0.53) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4115328 0.77 MCHR1 (0.61) MEN1KMT2ACNR1GOT1MTOR
SCHEMBL4106222 0.77 MEN1 (0.52) MEN1KMT2ACNR1GOT1MTOR

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 MEN1 4167/4885KMT2A 2720/4885CNR1 3201/4885

“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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