SCHEMBL4115004

SCHEMBL4115004

O=C(NCCN(CCN1CCCCC1)C(=O)Nc1cccc(Cl)c1)Nc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.59
▸ PKM P14618 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ TSHR P16473 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL4107614 0.91 CNR1 (0.71) CNR1LMNAKMT2AMAPTMEN1
SCHEMBL4117632 0.89 HTT (0.55) CNR1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4116411 0.88 CNR1 (0.54) CNR1LMNAKMT2AMAPTMEN1
SCHEMBL4111553 0.88 CASR (0.53) PKMALDH1A1LMNAGAATHRB
SCHEMBL4119727 0.85 EPHX2 (0.55) CNR1PKMALDH1A1LMNAGAA
SCHEMBL4128421 0.85 EPHX2 (0.55) CNR1PKMKMT2AMAPTTSHR
SCHEMBL4112231 0.85 CNR1 (0.59) CNR1KMT2AMAPTMEN1POLB
SCHEMBL4115134 0.84 MEN1 (0.53) ALDH1A1KMT2AMEN1POLB
SCHEMBL4107145 0.83 CNR1 (0.60) CNR1KMT2AMAPTMEN1TP53
SCHEMBL4113123 0.83 CNR1 (0.60) CNR1KMT2AMAPTMEN1TP53

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 CNR1 3201/4885PKM 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.

Send feedback