SCHEMBL4108313

SCHEMBL4108313

O=C(NCCN(CCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.56
▸ MTOR P42345 4/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ EPHX1 P07099 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CCR3 P51677 1/20 0.49
▸ GOT1 P17174 1/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ROCK2 O75116 1/20 0.48

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 0.90 MTOR (0.61) CNR1MTORKMT2AMEN1ALDH1A1
SCHEMBL4107298 0.85 MEN1 (0.55) CNR1MTORKMT2AMEN1CCR3
SCHEMBL4890252 0.84 CNR1 (0.76) CNR1MTORKMT2AMEN1KDM4E
SCHEMBL4115328 0.84 MCHR1 (0.61) CNR1MTORKMT2AMEN1EPHX1
SCHEMBL4119609 0.84 MEN1 (0.53) CNR1MTORKMT2AMEN1KDM4E
SCHEMBL4106222 0.83 MEN1 (0.52) CNR1MTORKMT2AMEN1CCR3
SCHEMBL4112186 0.82 MEN1 (0.60) CNR1MTORKMT2AMEN1GOT1
SCHEMBL4114182 0.82 MCHR1 (0.59) CNR1MTORKMT2AMEN1EPHX1
SCHEMBL4119717 0.81 EPHX2 (0.57) CNR1KMT2AMEN1CCR3
SCHEMBL4118376 0.81 MCHR1 (0.66) CNR1MTORKMT2AMEN1ALDH1A1

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 CNR1 3201/4885MTOR 393/4885KMT2A 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.

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