SCHEMBL4129513

SCHEMBL4129513

CN(C)CCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.49
▸ TRPV1 Q8NER1 6/20 0.48
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NOX1 Q9Y5S8 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ PAX8 Q06710 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL4111612 0.91 MCHR1 (0.51) EPHX1TRPV1MEN1KMT2ARAB9A
SCHEMBL4108277 0.87 EPHX1 (0.52) EPHX1MEN1KMT2ARAB9AKDM4E
SCHEMBL4107298 0.86 MEN1 (0.55) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL4112186 0.86 MEN1 (0.60) MEN1KMT2AMTORHTT
SCHEMBL4119938 0.82 TP53 (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4117727 0.81 CNR1 (0.60) MEN1KMT2AMAPTGAAHTT
SCHEMBL4119609 0.80 MEN1 (0.53) EPHX1MEN1KMT2ARAB9AKDM4E
SCHEMBL4119675 0.79 MEN1 (0.52) MEN1KMT2A
SCHEMBL4118355 0.79 MEN1 (0.55) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL4120234 0.78 EPHX1 (0.53) EPHX1MEN1KMT2ARAB9AKDM4E

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 3766/4885TRPV1 633/4885MEN1 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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