SCHEMBL4106129

SCHEMBL4106129

CN(C)CCCN(CCNC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.57
▸ UTS2R Q9UKP6 3/20 0.55
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MCHR1 Q99705 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL4117727 0.94 CNR1 (0.60) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4119609 0.91 MEN1 (0.53) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4123918 0.90 MEN1 (0.57) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4112186 0.88 MEN1 (0.60) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4113690 0.88 MEN1 (0.50) CNR1MEN1KMT2AMCHR1LMNA
SCHEMBL4114482 0.86 EPHX1 (0.51) CNR1UTS2RMEN1KMT2AMAPT
SCHEMBL4116418 0.85 MEN1 (0.52) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL5705917 0.85 CNR1 (0.57) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4119645 0.85 MCHR1 (0.60) CNR1UTS2RMEN1KMT2AMCHR1
SCHEMBL4112236 0.84 CNR1 (0.56) CNR1UTS2RMEN1KMT2AMCHR1

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 3201/4885UTS2R 376/4885MEN1 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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