SCHEMBL4118060

SCHEMBL4118060

O=C(NCCN(CCN1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.59
▸ CASR P41180 1/20 0.56
▸ DCUN1D1 Q96GG9 3/20 0.49
▸ UBE2M P61081 2/20 0.49
▸ CCR3 P51677 2/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47

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
SCHEMBL4106984 0.99 EPHX2 (0.58) EPHX2CASRDCUN1D1UBE2MCCR3
SCHEMBL4107357 0.95 CASR (0.58) EPHX2CASRDCUN1D1UBE2MCCR3
SCHEMBL4116411 0.94 CNR1 (0.54) EPHX2CASRDCUN1D1UBE2MCCR3
SCHEMBL4119717 0.92 EPHX2 (0.57) EPHX2CASRCCR3KMT2AMEN1
SCHEMBL4123912 0.92 EPHX2 (0.61) EPHX2CCR3KMT2AMEN1POLB
SCHEMBL4124304 0.92 MEN1 (0.58) EPHX2CASRCCR3KMT2AMEN1
SCHEMBL4111553 0.90 CASR (0.53) EPHX2CASRDCUN1D1UBE2MCCR3
SCHEMBL4115069 0.88 ALOX15 (0.52) EPHX2CASRDCUN1D1UBE2MCCR3
SCHEMBL4107145 0.88 CNR1 (0.60) EPHX2CCR3KMT2AMEN1CA1
SCHEMBL4113123 0.88 CNR1 (0.60) EPHX2CCR3KMT2AMEN1CA1

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 EPHX2 1614/4885CASR 2199/4885DCUN1D1 421/4885

“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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