SCHEMBL4107357

SCHEMBL4107357

O=C(NCCN(CCN1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.58
▸ EPHX2 P34913 1/20 0.52
▸ DCUN1D1 Q96GG9 5/20 0.52
▸ UBE2M P61081 4/20 0.52
▸ CCR3 P51677 1/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ MCHR1 Q99705 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ RXFP1 Q9HBX9 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 0.96 EPHX2 (0.58) CASREPHX2DCUN1D1UBE2MCCR3
SCHEMBL4118060 0.95 EPHX2 (0.59) CASREPHX2DCUN1D1UBE2MCCR3
SCHEMBL4111553 0.95 CASR (0.53) CASREPHX2DCUN1D1UBE2MCCR3
SCHEMBL4116411 0.93 CNR1 (0.54) CASREPHX2DCUN1D1UBE2MCCR3
SCHEMBL4115069 0.92 ALOX15 (0.52) CASREPHX2DCUN1D1UBE2MCCR3
SCHEMBL4124304 0.88 MEN1 (0.58) CASREPHX2CCR3HRH3KMT2A
SCHEMBL4119717 0.87 EPHX2 (0.57) CASREPHX2CCR3HRH3KMT2A
SCHEMBL4115134 0.87 MEN1 (0.53) CASRKMT2APOLBMEN1MCHR1
SCHEMBL4123912 0.87 EPHX2 (0.61) EPHX2CCR3HRH3KMT2APOLB
SCHEMBL30041940 0.86 EPHX2 (0.67) EPHX2CCR3HRH3KMT2APOLB

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 CASR 2199/4885EPHX2 1614/4885DCUN1D1 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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