SCHEMBL4124705

SCHEMBL4124705

CN(C)CCN(CCCNC(=O)Nc1cccc(Cl)c1)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ EPHX2 P34913 5/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ UTS2R Q9UKP6 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ NOX1 Q9Y5S8 1/20 0.45

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
SCHEMBL4114482 0.96 EPHX1 (0.51) EPHX1MEN1KMT2ALMNATP53
SCHEMBL5706001 0.89 EPHX1 (0.49) EPHX1MEN1KMT2ALMNATP53
SCHEMBL4119938 0.85 TP53 (0.54) MEN1KMT2ALMNATP53SMN1; SMN2
SCHEMBL4106239 0.85 MCHR1 (0.52) EPHX1MEN1KMT2ALMNATP53
SCHEMBL4123918 0.85 MEN1 (0.57) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4119727 0.85 EPHX2 (0.55) MEN1KMT2ALMNATP53ALDH1A1
SCHEMBL4128393 0.84 MEN1 (0.52) MEN1KMT2AHTTEPHX2CNR1
SCHEMBL4117727 0.84 CNR1 (0.60) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4107298 0.83 MEN1 (0.55) MEN1KMT2AHTTEPHX2CNR1
SCHEMBL4112186 0.83 MEN1 (0.60) MEN1KMT2AHTTEPHX2CNR1

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 EPHX1 3766/4885MEN1 4167/4885KMT2A 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.

Send feedback