SCHEMBL4107145

SCHEMBL4107145

O=C(NCCN(CCN1CCCC1)C(=O)Nc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.60
▸ EPHX2 P34913 5/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CCR3 P51677 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CCR1 P32246 1/20 0.46

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
SCHEMBL4113123 1.00 CNR1 (0.60) CNR1EPHX2SMN1; SMN2CA1CA2
SCHEMBL4112231 0.99 CNR1 (0.59) CNR1EPHX2SMN1; SMN2CA1CA2
SCHEMBL4123912 0.95 EPHX2 (0.61) CNR1EPHX2CA1CA2CA7
SCHEMBL4107614 0.92 CNR1 (0.71) CNR1EPHX2SMN1; SMN2CA1CA2
SCHEMBL4119717 0.91 EPHX2 (0.57) CNR1EPHX2CA1CA2CA7
SCHEMBL4116411 0.91 CNR1 (0.54) CNR1EPHX2SMN1; SMN2MAPTCCR3
SCHEMBL4124304 0.90 MEN1 (0.58) CNR1EPHX2CA1CA2CA7
SCHEMBL4112177 0.89 EPHX2 (0.59) CNR1EPHX2CA1CA2CA7
SCHEMBL4128123 0.89 EPHX2 (0.59) CNR1EPHX2CA1CA2CA7
SCHEMBL4125793 0.88 EPHX2 (0.53) EPHX2SMN1; SMN2MAPTCCR3

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 3201/4885EPHX2 1614/4885SMN1; SMN2 3490/4885

“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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