SCHEMBL4114155

SCHEMBL4114155

COc1ccc(NC(=O)NCCN(CCN(C(C)C)C(C)C)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CCR3 P51677 3/20 0.47
▸ BMP1 P13497 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ MCHR1 Q99705 3/20 0.44
▸ FPR2 P25090 4/20 0.44
▸ CASR P41180 1/20 0.44
▸ CNR1 P21554 2/20 0.42
▸ SLC6A3 Q01959 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ CSNK1D P48730 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 0.93 MEN1 (0.56) MEN1KMT2AMAPTMCHR1FPR2
SCHEMBL4106222 0.89 MEN1 (0.52) MEN1KMT2ACCR3MAPTMCHR1
SCHEMBL4119675 0.89 MEN1 (0.52) MEN1KMT2ACCR3BMP1MCHR1
SCHEMBL4119984 0.88 MEN1 (0.51) MEN1KMT2AMCHR1FPR2CNR1
SCHEMBL4112236 0.88 CNR1 (0.56) MEN1KMT2AMAPTMCHR1CNR1
SCHEMBL4107568 0.87 MCHR1 (0.58) MEN1KMT2ACCR3BMP1MCHR1
SCHEMBL4113690 0.85 MEN1 (0.50) MEN1KMT2ACCR3BMP1MCHR1
SCHEMBL4125813 0.82 GHSR (0.46) MEN1KMT2AMAPTMCHR1GHSR
SCHEMBL4125793 0.82 EPHX2 (0.53) CCR3MAPT
SCHEMBL4116393 0.81 EPHX2 (0.52) CCR3MAPT

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 2720/4885CCR3 675/4885

“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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