SCHEMBL4114482

SCHEMBL4114482

CN(C)CCCN(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
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 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
▸ MITF O75030 1/20 0.46
▸ 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

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
SCHEMBL4124705 0.96 EPHX1 (0.51) EPHX1KMT2AMEN1LMNATP53
SCHEMBL4123918 0.89 MEN1 (0.57) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL5706001 0.89 EPHX1 (0.49) EPHX1KMT2AMEN1LMNATP53
SCHEMBL4106239 0.87 MCHR1 (0.52) EPHX1KMT2AMEN1LMNATP53
SCHEMBL4106129 0.86 CNR1 (0.57) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL4119609 0.85 MEN1 (0.53) EPHX1KMT2AMEN1LMNAALDH1A1
SCHEMBL4119727 0.85 EPHX2 (0.55) KMT2AMEN1LMNATP53ALDH1A1
SCHEMBL4116418 0.84 MEN1 (0.52) KMT2AMEN1HTTEPHX2CNR1
SCHEMBL4115322 0.83 TP53 (0.56) KMT2AMEN1LMNATP53SMN1; SMN2
SCHEMBL4124710 0.82 PKM (0.50) KMT2ALMNATP53ALDH1A1EPHX2

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 3766/4885KMT2A 2720/4885MEN1 4167/4885

“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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