SCHEMBL4119727

SCHEMBL4119727

O=C(NCCCN(CCN1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.55
▸ PKM P14618 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ CCR3 P51677 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL4128421 0.93 EPHX2 (0.55) EPHX2PKMKMT2AMAPTCNR1
SCHEMBL4128123 0.90 EPHX2 (0.59) EPHX2KMT2AMAPTCNR1CCR3
SCHEMBL4111553 0.88 CASR (0.53) EPHX2PKMALDH1A1LMNAGAA
SCHEMBL4118060 0.87 EPHX2 (0.59) EPHX2KMT2ACCR3MEN1CASR
SCHEMBL4124710 0.87 PKM (0.50) EPHX2PKMALDH1A1LMNAGAA
SCHEMBL4116411 0.86 CNR1 (0.54) EPHX2LMNAKMT2AMAPTCNR1
SCHEMBL4106984 0.86 EPHX2 (0.58) EPHX2GAAKMT2ACCR3MEN1
SCHEMBL4107145 0.86 CNR1 (0.60) EPHX2KMT2AMAPTCNR1CCR3
SCHEMBL4113123 0.86 CNR1 (0.60) EPHX2KMT2AMAPTCNR1CCR3
SCHEMBL4114482 0.85 EPHX1 (0.51) EPHX2ALDH1A1LMNAKMT2AMAPT

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 EPHX2 1614/4885PKM 3183/4885ALDH1A1 3256/4885

“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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